5HJA
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | H 3 |
Unit cell lengths | 88.934, 88.934, 113.867 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.783 - 1.650 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ity |
RMSD bond length | 0.003 |
RMSD bond angle | 0.806 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.089 | |
Rpim | 0.316 | |
Number of reflections | 40479 | |
<I/σ(I)> | 22.4 | 2.1 |
Completeness [%] | 99.5 | 95.3 |
Redundancy | 7 | 5.7 |
CC(1/2) | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1 M HEPES, pH 7.2, 22% PEG3350 |