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. |