5LOR
human NUDT22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.87 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.332, 46.565, 120.678 |
Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
Resolution | 49.234 - 2.192 |
R-factor | 0.2028 |
Rwork | 0.200 |
R-free | 0.24450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NUDT22 apo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.074 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1631) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.234 | 2.310 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.092 | 1.032 |
Number of reflections | 29705 | |
<I/σ(I)> | 12.32 | |
Completeness [%] | 98.2 | 94 |
Redundancy | 4.91 | 4.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 27.5% PEG3350, 0.1 M Bis Tris pH 5.25, 0.1 M ammonium sulfate, and 0.1 M MgCl2 |