5LOU
human NUDT22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.213, 46.871, 119.606 |
| Unit cell angles | 90.00, 93.92, 90.00 |
Refinement procedure
| Resolution | 48.983 - 1.800 |
| R-factor | 0.2011 |
| Rwork | 0.199 |
| R-free | 0.24180 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.109 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.980 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 53860 | |
| <I/σ(I)> | 19.96 | 2.01 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 4.17 | 4.19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.4M sodium phosphate monobasic, 0.8M potassium phosphate dibasic, pH 6.1 |
