4YRZ
Crystal Structure of LuxP In Complex With L-xylulofuranose-1,2-borate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0719 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.500, 85.036, 130.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.187 - 2.571 |
R-factor | 0.1745 |
Rwork | 0.171 |
R-free | 0.22440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yr7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.399 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.187 | 2.660 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmerge | 0.197 | 0.929 |
Total number of observations | 280473 | |
Number of reflections | 26994 | |
<I/σ(I)> | 11.8 | 1.4 |
Completeness [%] | 99.4 | 94.2 |
Redundancy | 10.4 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 12% PEG 8000, 100mM sodium cacodylate pH 6.6 |