6AJ8
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+, alpha-ketoglutarate and ca2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-18 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.474, 112.021, 132.136 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.21939 |
| Rwork | 0.217 |
| R-free | 0.27058 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6aj6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.670 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.059 | 0.544 |
| Number of reflections | 34871 | 3339 |
| <I/σ(I)> | 9.6 | 1.9 |
| Completeness [%] | 98.9 | 98.6 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 25% PEG 1500, 100mM PCB buffer |
