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 |
