4E72
Crystal structure of a DUF3298 family protein (PA4972) from Pseudomonas aeruginosa PAO1 at 2.15 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9796,0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.840, 51.890, 40.860 |
Unit cell angles | 90.00, 98.25, 90.00 |
Refinement procedure
Resolution | 46.229 - 2.150 |
R-factor | 0.1732 |
Rwork | 0.171 |
R-free | 0.21000 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 29, 2011) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.229 | 46.230 | 2.230 |
High resolution limit [Å] | 2.150 | 4.610 | 2.150 |
Rmerge | 0.084 | 0.059 | 0.439 |
Number of reflections | 11243 | 1183 | 1078 |
<I/σ(I)> | 8.81 | 17.9 | 2.43 |
Completeness [%] | 96.0 | 95.9 | 90.9 |
Redundancy | 3.47 | 3.12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10.0% Glycerol, 1.26M tri-Sodium Citrate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |