5BT8
X-ray Crystal Structure of phosphoglycerate kinase from Acinetobacter baumannii
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 | 2015-04-21 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.440, 200.290, 87.300 |
Unit cell angles | 90.00, 91.37, 90.00 |
Refinement procedure
Resolution | 48.450 - 2.300 |
R-factor | 0.2157 |
Rwork | 0.215 |
R-free | 0.24810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zmr |
RMSD bond length | 0.004 |
RMSD bond angle | 0.783 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | PHENIX ((dev_2050)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 | |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.073 | 0.027 | 0.546 |
Rmeas | 0.085 | 0.032 | 0.635 |
Total number of observations | 408424 | ||
Number of reflections | 106790 | 1191 | 7936 |
<I/σ(I)> | 14.03 | 36.08 | 2.61 |
Completeness [%] | 99.9 | 95.8 | 99.8 |
Redundancy | 3.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 289 | MCSG1 screen H9: 0.1 M BIS-TRIS:HCl, pH 5.6, 25% PEG3350 |