5BSK
Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate
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 | 2013-06-22 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.95369 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.272, 93.279, 129.881 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.640 - 2.610 |
R-factor | 0.21 |
Rwork | 0.206 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ijq |
RMSD bond length | 0.002 |
RMSD bond angle | 0.670 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.640 |
High resolution limit [Å] | 2.610 |
Rmerge | 0.120 |
Number of reflections | 27248 |
<I/σ(I)> | 10.4 |
Completeness [%] | 97.3 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 15% PEG 3000, 0.2 M calcium acetate, 0.1 M Tris-HCl pH 7.4 |