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 |