Table 2. Summary of data-collection statistics.
Values in parentheses are for the outermost resolution shell.
| Protein | Tcid1 (PDB entry 4e7x)† | tCid1 (K133A/R137A/ R277A/K282A mutant) (crystal form I) | tCid1 (K133A/R137A/ R277A/K282A mutant) (crystal form II) | mCid1 (crystal form I) | mCid1 (crystal form II) |
|---|---|---|---|---|---|
| Crystallization condition | 15%(v/v) glycerol, 25.5%(w/v) PEG 4000, 0.17M ammonium acetate, 0.085M trisodium citrate pH 5.6 | 25%(w/v) PEG 3350, 0.2M ammonium sulfate, 0.1M bis-tris pH 6.5 | 0.1M sodium citrate tribasic dihydrate pH 5.5, 18%(w/v) PEG 3350 or 16%(w/v) PEG 8000 | 10%(w/v) PEG 3350, 0.1M HEPES pH 7.5, 0.2M L-proline | 10%(w/v) PEG 3350, 0.1M HEPES pH 7.5, 0.2M L-proline |
| Cryoprotectant‡ | 25%(v/v) glycerol | Stepwise increase to 25%(v/v) glycerol | 25%(v/v) glycerol | Stepwise increase to 25%(v/v) glycerol | 25%(v/v) ethylene glycol |
| Beamline | I24, DLS | I02, DLS | I02, DLS | I03, DLS | I03, DLS |
| Wavelength () | 0.973 | 0.9795 | 0.9795 | 0.963 | 0.963 |
| Rotation per image () | 0.2 | 0.1 | 0.1 | 0.2 | 0.2 |
| X-ray detector | PILATUS 6M | PILATUS 6M | PILATUS 6M | PILATUS 6M | PILATUS 6M |
| Temperature (K) | 100 | 100 | 100 | 100 | 100 |
| Space group | C2 | P1 | P21 | C2 | P21 |
| a, b, c () | 164.4, 78.0, 152.5 | 58.96, 62.26, 65.5 | 62.7, 103.7, 76.3 | 157.1, 54.85, 119.6 | 116, 53.18, 124.6 |
| , , () | 90, 109.5, 90 | 76.3, 81.1, 63.2 | 90, 110.8, 90 | 90, 125.6, 90 | 90, 115.2, 90 |
| Resolution range () | 64.243.20 (3.223.20) | 30.171.73 (1.771.73) | 33.772.51 (2.582.51) | 58.392.25 (2.312.25) | 112.722.37 (2.432.37) |
| Molecules per ASU§ | 4 | 2 | 2 | 2 | 4 |
| Solvent content¶ (%) | 54 | 49 | 54 | 52 | 42 |
| Total No. of reflections | 130475 | 284535 | 104007 | 131393 | 190479 |
| No. of unique reflections | 30013 | 81044 | 30865 | 39354 | 56461 |
| Completeness (%) | 99.5 (97.7) | 96.3 (95.2) | 98.3 (98.8) | 99.2 (99.5) | 99.9 (99.9) |
| Multiplicity | 4.1 (4.1) | 3.5 (3.4) | 3.4 (3.5) | 3.3 (3.4) | 3.4 (3.4) |
| I/(I) | 8.9 (2.4) | 16.7 (2.0) | 22.6 (2.1) | 15.3 (2.5) | 8.3 (1.9) |
| R merge †† | 0.138 (0.712) | 0.028 (0.528) | 0.032 (0.531) | 0.041 (0.494) | 0.115 (0.630) |
†
Data for comparative purposes taken from Yates et al. (2012 ▶).
‡
Cryoprotectant was added to the reservoir solution of the crystallization experiment to the final concentration stated.
§
The number of molecules in the asymmetric unit (ASU) was confirmed by molecular replacement using Phaser (McCoy et al., 2007 ▶) and PDB entry 4e7x.
¶
Solvent content calculated using the Matthews coefficient calculator (Weichenberger Rupp, 2014 ▶; Matthews, 1968 ▶). The molecular weight was derived from the sequences given in Table 1 ▶.
††
R
merge = 100 
, where Ii(hkl) is the ith measurement and I(hkl) is the weighted mean of all measurements of I(hkl) for the reflection with Miller indices hkl.