6AJ6
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+
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 | 2015-12-12 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.442, 109.754, 64.961 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 45.020 - 3.200 |
| R-factor | 0.21649 |
| Rwork | 0.212 |
| R-free | 0.30858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t0l |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.875 |
| 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 | 3.260 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.099 | 0.799 |
| Number of reflections | 14385 | 753 |
| <I/σ(I)> | 6.6 | 1.45 |
| Completeness [%] | 98.4 | 99.2 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 20% PEG 3350, 200mM potassium nitrate |
