4XWI
X-ray Crystal structure of CMP-KDO Synthase from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-17 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.370, 71.370, 231.470 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.239 - 1.920 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.015 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1932)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 | |
High resolution limit [Å] | 1.920 | 8.590 | 1.920 |
Rmerge | 0.062 | 0.035 | 0.482 |
Rmeas | 0.069 | 0.041 | 0.544 |
Total number of observations | 244478 | ||
Number of reflections | 53400 | 705 | 3899 |
<I/σ(I)> | 13.74 | 31.13 | 2.61 |
Completeness [%] | 99.9 | 96.7 | 99.8 |
Redundancy | 4.57 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | Morpheus well C12 - 37.5% each of MPD, PEG1000, and PEG3350 + 0.1 M TRIS/Bicine, pH 8.50, + 0.09M each of sodium nitrate, dibasic sodium phosphate, and ammonium sulfate |