3GGC
Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-phosphonoethoxyethyl)hypoxanthine
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 | IMAGE PLATE |
| Detector | RIGAKU |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 111.284, 72.775, 50.993 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.590 - 2.780 |
| R-factor | 0.23081 |
| Rwork | 0.228 |
| R-free | 0.28465 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3gep |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.985 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 111.110 | 2.850 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.134 | 0.254 |
| Number of reflections | 10911 | |
| <I/σ(I)> | 27.5 | 15.6 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1M citrate, 10% iso-propanol, 29% PEG 4000, pH 6.5 |
