5DLC
X-ray Crystal Structure of a Pyridoxine 5-prime-phosphate 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 | 2015-03-26 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 150.460, 150.460, 86.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.250 - 2.650 |
R-factor | 0.1755 |
Rwork | 0.173 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f4n |
RMSD bond length | 0.003 |
RMSD bond angle | 0.719 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | PHENIX ((1.10pre_2090: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.720 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.382 | |
Number of reflections | 32181 | |
<I/σ(I)> | 12.97 | 3.18 |
Completeness [%] | 97.2 | 99.2 |
Redundancy | 3.21 | 3.25 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | Morpheus A8: 0.06 M MgCl2, 0.06 M CaCl2, 0.1 M HEPES/MOPS pH 7.50, 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350 |