9IIL
Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 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 | 145.365, 167.131, 149.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.454 - 2.200 |
| Rwork | 0.168 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.527 |
| 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] | 88.454 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.230 | 2.380 |
| Rmeas | 0.230 | 2.460 |
| Rpim | 0.064 | 0.640 |
| Number of reflections | 91060 | 4425 |
| <I/σ(I)> | 9.3 | 1.8 |
| Completeness [%] | 98.9 | 98.1 |
| Redundancy | 13.9 | 14.4 |
| CC(1/2) | 0.997 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 298 | 0.2 M MgCl2.6H2O, 0.1M HEPES sodium (pH 7.5), 30% v/v PEG 400 |
