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 |