2IU3
Crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2006-04-14 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 387.000, 57.000, 62.100 |
| Unit cell angles | 90.00, 98.90, 90.00 |
Refinement procedure
| Resolution | 35.200 - 2.900 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8m |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.120 | 0.590 |
| Number of reflections | 30321 | |
| <I/σ(I)> | 12.1 | 1.5 |
| Completeness [%] | 98.0 | 93 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 20%PEG8000, 0.2 M IMIDAZOLE PH7.2, 5MM DTT, 0.01M HEXAMINECOBALT TRICHLORIDE, pH 7.20 |
