4EXR
Crystal structure of a putative lipoprotein (CD1622) from Clostridium difficile 630 at 1.85 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 | 2012-04-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97903,0.91837,0.97845 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 77.631, 77.631, 84.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.639 - 1.850 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.21000 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.064 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SOLVE |
Refinement software | PHENIX (1.7.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.639 | 28.639 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.052 | 0.817 | |
Total number of observations | 1618 | 8643 | |
Number of reflections | 22697 | ||
<I/σ(I)> | 8.7 | 12.2 | 0.9 |
Completeness [%] | 99.7 | 95.6 | 100 |
Redundancy | 5.8 | 5.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 0.20M sodium chloride, 40.00% polyethylene glycol 400, 0.1M Na/K phosphate pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |