7KLK
Human Arginase1 Complexed with Inhibitor Compound 3a
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 | 2017-03-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.157, 281.463, 67.078 |
Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
Resolution | 67.080 - 1.801 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.23650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6v7c |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | AutoProcess |
Phasing software | autoBUSTER |
Refinement software | BUSTER (2.11.7 (20-MAY-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.080 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 179355 | 25947 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.2 | |
Redundancy | 3.4 | |
CC(1/2) | 0.996 | 0.916 |
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 |