5KNR
E. coli HPRT in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]-guanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-16 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 84.617, 84.617, 167.116 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.347 - 2.864 |
| R-factor | 0.2364 |
| Rwork | 0.233 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g9s |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.580 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 44.350 |
| High resolution limit [Å] | 2.860 |
| Rmerge | 0.108 |
| Number of reflections | 16596 |
| <I/σ(I)> | 15.7 |
| Completeness [%] | 99.9 |
| Redundancy | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M HEPES pH 7.5 and 0.1 M sodium citrate |
