5CQZ
Human cytosolic 5'-nucleotidase II in complex with 3-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.890, 121.980, 90.150 |
| Unit cell angles | 90.00, 114.29, 90.00 |
Refinement procedure
| Resolution | 19.882 - 2.900 |
| R-factor | 0.1934 |
| Rwork | 0.190 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.395 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.900 |
| High resolution limit [Å] | 2.900 |
| Number of reflections | 30987 |
| <I/σ(I)> | 10.5 |
| Completeness [%] | 98.1 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | MgSO4, Tris and ligand |
