5CR7
Human cytosolic 5'-nucleotidase II in complex with N-(9H-Purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.872600 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.650, 123.880, 90.580 |
| Unit cell angles | 90.00, 115.49, 90.00 |
Refinement procedure
| Resolution | 45.372 - 2.900 |
| R-factor | 0.2223 |
| Rwork | 0.220 |
| R-free | 0.26510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j2c |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.344 |
| 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 | 31229 |
| <I/σ(I)> | 7.9 |
| Completeness [%] | 98.0 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | ammonium acetate, Bis-Tris, 2-methyl-2,4-pentanediol |
