2WT9
Acinetobacter baumanii nicotinamidase pyrazinamidease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.640, 46.890, 59.480 |
| Unit cell angles | 113.19, 88.25, 115.61 |
Refinement procedure
| Resolution | 28.400 - 1.650 |
| R-factor | 0.182 |
| Rwork | 0.179 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1im5 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.914 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.400 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.080 | 0.490 |
| Number of reflections | 47549 | |
| <I/σ(I)> | 12.2 | 3.25 |
| Completeness [%] | 88.6 | 75.4 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.0 M AMMONIUM SULPHATE, 200 MM SODIUM CACODYLATE, PH 5.5, 200 MM LITHIUM CHLORIDE AND 20% GLYCEROL. |
