7K4K
Human Arginase 1 in complex with compound 52.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.550, 287.100, 67.000 |
| Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
| Resolution | 71.780 - 2.270 |
| R-factor | 0.173 |
| Rwork | 0.170 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6v7d |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.780 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Number of reflections | 91801 | 13528 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.987 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 10% MMT (pH 7.0) 0.1 M ammonium formate, 16-22% PEG 8000 |
