2IU0
crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase
Replaces: 2B0WExperimental 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 | 38.230 - 2.530 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g8m |
| RMSD bond length | 0.038 |
| RMSD bond angle | 3.500 |
| 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 | 2.620 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.080 | 0.610 |
| Number of reflections | 143040 | |
| <I/σ(I)> | 18.9 | 2.6 |
| Completeness [%] | 98.6 | 99.1 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 20%PEG3350, 0.2 M POTASSIUM NITRATE, pH 7.20 |
