4JLS
Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-06 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.95369 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.610, 117.679, 156.622 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.971 - 2.200 |
R-factor | 0.1884 |
Rwork | 0.177 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.171 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.255 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 71529 | |
Completeness [%] | 100.0 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 8% tacsimate, pH 6.0, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP |