5I01
Structure of phosphoheptose isomerase GmhA from Neisseria gonorrhoeae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-13 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 114.360, 130.150, 47.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.910 - 2.370 |
R-factor | 0.2101 |
Rwork | 0.207 |
R-free | 0.26670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bjz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.224 |
Data reduction software | XDS (November 3, 2014) |
Data scaling software | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.910 | 2.430 | |
High resolution limit [Å] | 2.370 | 10.600 | 2.370 |
Rmerge | 0.134 | 0.018 | 1.032 |
Number of reflections | 28174 | ||
<I/σ(I)> | 9.34 | 31.92 | 1.71 |
Completeness [%] | 95.8 | 83.5 | 97.8 |
Redundancy | 3.7 | ||
CC(1/2) | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M TRIS-HCL pH 8.5, 0.2M magnesium chloride, 30% PEG4000 |