Table 1.
Data collection and refinement statistics.
Data collection | CDEFhd1 (PDB ID: 7CLT) |
---|---|
Space group | P212121 |
X-ray sourcea and detector | PAL-5C Pilatus 6M |
Wavelength (Å) | 0.9794 |
Unit cell: a, b, c (Å) | 31.8, 47.6, 87.2 |
α, β, γ (°) | 90.0, 90.0, 90.0 |
Resolution range (Å)b | 50–2.07 (2.11–2.07) |
4.6 (59.0) | |
0.998 (0.873) | |
<I/σ(I)> | 11.1 (2.5) |
Completeness (%) | 99.2 (97.1) |
Redundancy | 4.9 (4.3) |
REFINEMENT | |
Resolution range (Å) | 43.6–2.07 |
No. reflections | 7896 |
(%)/Rfree (%) | 20.9/22.9 |
NO. ATOMS (RESIDUES) | |
Protein | 827 (102) |
Glycerol | 6 (1) |
Ca2+ | 2 |
Zn2+ | 2 |
Water | 23 |
B-Factors (Å2) | |
Protein | 31.8 |
Glycerol | 22.4 |
Ca2+ | 20.8 |
Zn2+ | 24.0 |
Water | 27.2 |
MODEL STATISTICS | |
RMSD bond length (Å) | 0.007 |
RMSD bond angles (°) | 0.87 |
Ramachandran plot (%) favored/allowed/disallowed | 98.0/2.0/0.0 |
Beamline 5C at Pohang Acceleratory Laboratory (PAL) in the Republic of Korea.
Values in parentheses are for the highest resolution shell.
Rmerge = ∑h = i |I(h)i- < I(h) > |/ [∑h /iI(h)i], where I(h) is the intensity of reflection of h, ∑h is the sum over all reflections and -i is the sum over i measurements of reflection h.
CC1/2 was calculated from HKL2000.
Rwork = Σhkl ||Fo|–|Fc||/(Σhkl|Fo|); 5% of the reflections were excluded for the Rfree calculation.