Table 1.
Crystallographic and Refinement Statistics
| SPOPMATH-Puc SBC1_pep1 | SPOPMATHx-Puc SBC1_pep2 | SPOPMATH-MacroH2A_pep1 | SPOPMATHx-MacroH2A_pep1 | SPOPMATHx-MacroH2A_pep2 | SPOPMATH-Ci SBC2 | SPOPMATHx-Ci SBC2 | SPOPBTB/3-box | GigBTB/3-box+ | SPOPMATHx-BTB/3-box - Puc SBC1_pep3 (form 1) | SPOPMATHx-BTB/3-box - Puc SBC1_pep3 (form 2) | |
|---|---|---|---|---|---|---|---|---|---|---|---|
| SBC Peptide sequence | DEVTSTTSSS | ENLACDEVTSTTSSST | KAASADSTTEGTPAD | KAASADSTTEGTPAD | DSTTEGTPADGFTVL | NTLFPDVSSSTH | NTLFPDVSSSTH | n/a | n/a | DEVTSTT | DEVTSTT |
| Accession code | 3IVV.pdb | 3HQL.pdb | 3IVB.pdb | 3HQH.pdb | 3HSV.pdb | 3IQV.pdb | 3HQM.pdb | 3HTM.pdb | 3HVE.pdb | 3HQI.pdb | 3HU6.pdb |
| DATA COLLECTION | |||||||||||
| Beamline | APS 24-ID-C | ALS 8.2.2 | APS 24-ID-C | APS 22-BM | APS 22-BM | ALS 8.2.1 | APS 22-BM | NSLS X25 | ALS 8.2.2 | APS 24-ID-C | APS 24-ID-C |
| Wavelength (Å) | 0.9794 | 1 | 0.9794 | 1 | 1 | 1 | 1 | 0.9792 | 0.9794 | 0.9795 | 0.9795 |
| Space Group | C2 | C2 | P6522 | P6522 | C2 | C2221 | P1 | P1 | P21 | P212121 | P212121 |
| Cell Dimensions | |||||||||||
| a, b, c (Å) | 60.744, 56.492, 42.133 | 90.795, 43.690, 86.819 | 44.021, 44.021, 266.840 | 44.7, 44.7, 268.0 | 88.953, 43.086, 87.453 | 57.703, 59.829, 151.164 | 44.281, 48.100, 49.860 | 36.8, 88.7, 88.7 | 46.48, 55.6, 120.6 | 57.23, 106.87, 130.28 | 63.74, 107.74, 130.79 |
| α, β, γ (deg) | 90, 96.11, 90 | 90, 107.03, 90 | 90, 90, 120 | 90, 90, 120 | 90, 118.15, 90 | 90, 90, 90 | 63.00, 64.04, 62.89 | 90.8, 89.3, 89.9 | 90, 91.1, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution (Å) | 50-1.25 (1.29-1.25) | 20-1.66 (1.72-1.66) | 50-1.75 (1.81-1.75) | 50-2.29 (2.37-2.29) | 50-1.43 (1.48-1.43) | 50-2.1 (2.18-2.1) | 50-1.74(1.80-1.74) | 50-2.42(2.51-2.42) | 100-2.8(2.9-2.8) | 50-2.62(2.71-2.62) | 50-2.7(2.8-2.7) |
| Total Reflections | 358726 | 362,270 | 791,770 | 333,421 | 450,833 | 281,810 | 216,527 | 278,434 | 104,074 | 215,492 | 543,183 |
| Unique Reflections | 39304 (3926) | 38,876 (3796) | 16,750 (1564) | 8,052 (735) | 54,191 (5266) | 15678 (1558) | 31,963 (2996) | 42,413 (6731) | 15,314 (903) | 24,800 (2213) | 25,4401877 |
| Completeness (%) | 100.0 (99.9) | 99.5 (99.0) | 98.0 (97.4) | 98.9 (96.8) | 99.2 (97.7) | 100.0 (100.0) | 97.0(94.6) | 96.2(79.7) | 91.0(59.1) | 98.1(91.3) | 94.5(75.1) |
| Overall Rsym (%) | 3.8 (27.6) | 7.3 (39.0) | 8.8 (49.0) | 9.0 (18.2) | 5.7 (11.0) | 7.7 (36.5) | 3.1(10.2) | 6.5(33.5) | 5.7(17.1) | 10.6(29.6) | 17.4(59.0) |
| Overall I/σI | 21.8 (3.9) | 28.9 (3.1) | 23.0 (4.9) | 31.7 (8.3) | 31.7 (14.8) | 26.4 (4.4) | 30.3(9.5) | 25.5(4.9) | 20.8(5.3) | 20.0(3.7) | 20.1(2.4) |
| Mean redundancy | 3.7 (3.3) | 3.1 (2.8) | 4.8 (4.6) | 7.0 (4.5) | 4.3 (4.2) | 7.2 (7.3) | 2.0(1.9) | 1.9(1.7) | 3.2(2.6) | 4.6(3.8) | 9.4(5.9) |
| REFINEMENT | |||||||||||
| Rwork/Rfree | 0.199/0.177 | 0.247/0.258 | 0.247/0.218 | 0.238/0.276 | 0.175/0.206 | 0.279/0.233 | 0.177/0.218 | 0.219/0.259 | 0.303/0.333 | 0.226/0.275 | 0.246/0.295 |
| Reflections (working set) | 35,345 | 36,636 | 14,738 | 7,445 | 51,030 | 14,875 | 29,424 | 35,675 | 12,958 | 23,046 | 22,223 |
| Reflections (test set) | 1976 | 1,934 | 828 | 360 | 2,740 | 754 | 1,582 | 1,872 | 615 | 1,235 | 1,188 |
| overall B-factors (Å^2) | 14.9 | 18 | 16.8 | 45.4 | 14.9 | 53.9 | 14.5 | 37.3 | 56.3 | 18.7 | 19.6 |
| R.m.s deviations | |||||||||||
| Bond lengths (Å) | 0.008 | 0.013 | 0.009 | 0.01 | 0.009 | 0.008 | 0.009 | 0.007 | 0.011 | 0.009 | 0.009 |
| Bond angles (deg) | 1.2 | 1.36 | 1.25 | 1.3 | 1.2 | 1.69 | 1.19 | 1.3 | 1.5 | 1.4 | 1.4 |
| Ramachandran statistics | |||||||||||
| Most Favored | 90.40% | 98.05% | 93.90% | 92.10% | 97.96% | 87.30% | 98.43% | 94.85% | 88.77% | 94.89% | 83.70% |
| Additional allowed | 9.60% | 1.95% | 6.10% | 7.90% | 2.04% | 12.70% | 1.57% | 5.15% | 11.23% | 5.11% | 16.30% |
| Dissallowed | 0.00% | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Highest resolution shell is shown in parenthesis. Rwork = Σ|Fo−Fc|/ΣFo.
Rfree is the cross-validation of Rfactor with 5% of the total reflections omitted in model refinement.