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 |
