5AJT
Crystal structure of ligand-free phosphoribohydrolase lonely guy from Claviceps purpurea
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 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 82.540, 83.170, 163.652 |
Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
Resolution | 46.471 - 2.430 |
R-factor | 0.2163 |
Rwork | 0.215 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a33 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.114 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.470 | 2.530 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.080 | 0.790 |
Number of reflections | 41288 | |
<I/σ(I)> | 6.3 | 1.2 |
Completeness [%] | 98.9 | 99.3 |
Redundancy | 3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 100MM AMMONIUM TARTRATE, 100MM POTASSIUM SULFATE, 23% PEG3350, 17% GLYCEROL, 3% ETHYLENE GLYCOL |