1ISO
ISOCITRATE DEHYDROGENASE: STRUCTURE OF AN ENGINEERED NADP+--> NAD+ SPECIFICITY-REVERSAL MUTANT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 102.400, 102.400, 150.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.900 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3icd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 24.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.090 |
| Rmerge | 0.055 | 0.270 |
| Number of reflections | 63350 | 6069 * |
| <I/σ(I)> | 22.6 | 4.5 |
| Completeness [%] | 99.1 | 97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 5.4 * | pH 5.8 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | dephosphorylated IDH | 28 (mg/ml) | |
| 2 | 1 | 1 | ammonium sulfate | 34 (%sat) | |
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | 35 (mM) | ||
| 5 | 1 | 1 | citric acid | 9 (mM) | |
| 6 | 1 | 1 | dithiothreitol | 0.2 (mM) |
