4X3V
Crystal structure of human ribonucleotide reductase 1 bound to inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.880, 110.498, 216.721 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 108.361 - 3.700 |
R-factor | 0.2381 |
Rwork | 0.232 |
R-free | 0.28920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hnc |
RMSD bond length | 0.009 |
RMSD bond angle | 1.788 |
Phasing software | REFMAC |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 4.040 |
High resolution limit [Å] | 3.700 | 3.900 |
Number of reflections | 19866 | |
<I/σ(I)> | 32.6 | 4.5 |
Completeness [%] | 95.6 | 97.9 |
Redundancy | 3.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.9 | 298 | 0.1 M Tris-HCl pH 7.9, 0.2 M LiSO4, 19% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |