3GGJ
Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-phosphonoethoxyethyl)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 | 2007-12-06 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 111.189, 72.754, 51.387 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.780 - 2.600 |
| R-factor | 0.2393 |
| Rwork | 0.236 |
| R-free | 0.29521 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3gep |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.226 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.780 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.122 | 0.300 |
| Number of reflections | 13236 | |
| <I/σ(I)> | 6.8 | 3.3 |
| Completeness [%] | 98.7 | 99.2 |
| Redundancy | 4.1 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M citrate, 10% iso-propanol, 29% PEG 4000, 3.3mM inhibitor , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
