3GEP
Human hypoxanthine guanine phosphoribosyltranserfase in complex with (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)guanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-05 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 111.122, 72.590, 51.282 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.630 - 2.600 |
R-factor | 0.24984 |
Rwork | 0.247 |
R-free | 0.29830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z7g |
RMSD bond length | 0.009 |
RMSD bond angle | 1.269 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.630 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.079 | 0.179 |
Number of reflections | 13343 | |
<I/σ(I)> | 9.3 | 4.5 |
Completeness [%] | 99.5 | 99.4 |
Redundancy | 4.5 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M citrate, 10% isopropanol, 29% PEG 4000, 3.9mM (RS)- HPMPG, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |