5K7Y
Crystal structure of enzyme in purine metabolism
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 | 2014-12-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 91.519, 126.541, 130.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.330 - 1.790 |
R-factor | 0.1717 |
Rwork | 0.171 |
R-free | 0.19240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j2c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.472 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP (11.1.03) |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.948 | 1.747 |
High resolution limit [Å] | 1.738 | 1.738 |
Rmeas | 0.053 | 0.707 |
Number of reflections | 76477 | |
<I/σ(I)> | 20.1 | 1.9 |
Completeness [%] | 98.2 | 89.6 |
Redundancy | 5.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 100 mM MES/imidazol containing 200 mM NaCl, 30 % glycerol and 10 % PEG 4000 |