2PHO
Crystal structure of human arginase I complexed with thiosemicarbazide at 1.95 resolution
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 |
| Collection date | 2006-07-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 |
| Unit cell lengths | 90.610, 90.610, 69.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.180 - 1.950 |
| Rwork | 0.169 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aeb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.146 | 0.322 |
| Number of reflections | 42929 | |
| <I/σ(I)> | 6.1 | 2.6 |
| Completeness [%] | 92.0 | 97.3 |
| Redundancy | 1.6 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 12-22% Jeffamine ED-2001, 0.1 M Hepes, pH 7.0, 1.4 mM thiosemicarbazide, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
