1CW1
CRYSTAL STRUCTURE OF ISOCITRATE DEHYDROGENASE MUTANT K230M BOUND TO ISOCITRATE AND MN2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 102.800, 102.800, 150.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.530 - 2.100 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.23500 * |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.700 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 5.530 | 2.220 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.056 | |
| Total number of observations | 198526 * | |
| Number of reflections | 40295 | |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 91.3 | 89.5 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | AMMONIUM SULFATE, DTT, NAN3, MN-ISOCITRATE, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 38-55 (%sat) | |
| 2 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 3 | 1 | reservoir | 0.02 (%(v/v)) | ||
| 4 | 1 | reservoir | meta-ligand solution | 1 (mM) |
