5LG5
Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-10 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.97372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.220, 142.320, 146.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.780 - 2.100 |
R-factor | 0.1882 |
Rwork | 0.186 |
R-free | 0.23260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fld |
RMSD bond length | 0.008 |
RMSD bond angle | 1.221 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.780 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.068 | 0.329 |
Number of reflections | 74201 | |
<I/σ(I)> | 11.4 | 3.3 |
Completeness [%] | 99.4 | 96.9 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2M CaCl2, 0.1M HEPES pH 7.5, 28% w/v PEG 400 |