3E6K
X-ray structure of Human Arginase I: the mutant D183A in complex with ABH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 3 |
| Unit cell lengths | 90.766, 90.766, 69.501 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.380 - 2.100 |
| Rwork | 0.164 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aeb |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.067 | |
| Number of reflections | 36884 | |
| <I/σ(I)> | 11.6 | 2 |
| Completeness [%] | 98.6 | 99.3 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Protein buffer: 50 mM bicine; pH 8,5; 0.1 mM MnCl2; 1.4 mM ABH. Resevoir:12-25% (wt/vol) jeffamine ED-2001; 0.1 M Hepes pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
