8ZN4
Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2023-07-28 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.87313 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 145.775, 167.135, 150.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.703 - 2.300 |
Rwork | 0.152 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cmc |
RMSD bond length | 0.007 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.703 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.200 | 1.580 |
Rmeas | 0.020 | 1.690 |
Rpim | 0.060 | 0.470 |
Number of reflections | 81357 | 4423 |
<I/σ(I)> | 11.2 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.2 | 12.6 |
CC(1/2) | 0.998 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 298 | A reservoir solution containing 0.2 M MgCl2.6H2O, 0.1 M HEPES sodium (pH 7.5), and 30% v/v PEG 400 was prepared. |