4EQ8
Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.130, 61.028, 64.098 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.720 - 1.392 |
R-factor | 0.1619 |
Rwork | 0.161 |
R-free | 0.17380 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.994 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmerge | 0.108 | 0.584 |
Number of reflections | 29529 | |
<I/σ(I)> | 31.7 | 5.4 |
Completeness [%] | 98.4 | 95.6 |
Redundancy | 14.2 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG 3350, 0.1 Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |