4J8Q
Crystal structure of a NigD-like protein (BF0700) from Bacteroides fragilis NCTC 9343 at 2.50 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-01-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97944,0.97853 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.556, 124.425, 56.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.767 - 2.500 |
R-factor | 0.1986 |
Rwork | 0.196 |
R-free | 0.25050 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.156 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.767 | 2.590 | |
High resolution limit [Å] | 2.500 | 5.350 | 2.500 |
Rmerge | 0.100 | 0.046 | 0.600 |
Number of reflections | 9419 | 1665 | 1698 |
<I/σ(I)> | 7.6 | 17 | 1.5 |
Completeness [%] | 90.2 | 87.6 | 92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M ammonium nitrate, 20% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |