1JR1
Crystal structure of Inosine Monophosphate Dehydrogenase in complex with Mycophenolic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-10-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 |
| Unit cell lengths | 110.600, 110.600, 111.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.217 * |
| Rwork | 0.217 |
| R-free | 0.28500 |
| Structure solution method | MIR |
| RMSD bond length | 0.007 |
| RMSD bond angle | 22.270 * |
| Phasing software | PHASES |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.710 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.052 * | |
| Total number of observations | 123246 * | |
| Number of reflections | 37492 | |
| Completeness [%] | 93.0 | 80 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 22 * | PEG 6000, LiCl, MES, 1-methyl-2-pyrrolidinone, 2-mercaptoethanol, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 10 | 1 | reservoir | MES | 100 (mM) | |
| 11 | 1 | reservoir | NMP | 5 (%(v/v)) | |
| 12 | 1 | reservoir | 2-mercaptoethanol | 40 (mM) | |
| 2 | 1 | drop | 300 (mM) | ||
| 3 | 1 | drop | glycerol | 10 (%) | |
| 4 | 1 | drop | 2 (mM) | ||
| 5 | 1 | drop | 2-mercaptoethanol | 2 (mM) | |
| 6 | 1 | drop | EDTA | 2 (mM) | |
| 7 | 1 | drop | Tris | 50 (mM) | |
| 8 | 1 | reservoir | PEG6000 | 10 (%) | |
| 9 | 1 | reservoir | 1 (M) |
