1B3O
TERNARY COMPLEX OF HUMAN TYPE-II INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP AND SELENAZOLE ADENINE DINUCLEOTIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 1997-08 |
| Detector | CORNELL |
| Spacegroup name | I 4 |
| Unit cell lengths | 142.260, 142.260, 174.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.900 |
| R-factor | 0.244 * |
| Rwork | 0.244 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CORE DOMAIN OF IMPDH MONOMER FROM HAMSTER IMPD/IMP/MPA COMPLEX STRUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.853) |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.095 | 0.338 |
| Total number of observations | 126775 * | |
| Number of reflections | 34001 | |
| <I/σ(I)> | 10 | 3 |
| Completeness [%] | 86.4 | 56.2 * |
| Redundancy | 3 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 | 4 * | SEE PRIMARY REFERENCE , pH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | reservoir | PEG6000 | 4-6 (%) | |
| 3 | 1 | reservoir | 1 (M) | ||
| 4 | 1 | reservoir | Tris | 100 (mM) | |
| 5 | 1 | reservoir | methylpyrollidinone | 5 (%(v/v)) | |
| 6 | 1 | reservoir | beta-mercaptoethanol | 24 (mM) |
