6AJA
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADPH, 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 | 2016-06-16 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 120.894, 70.455, 122.052 |
| Unit cell angles | 90.00, 113.39, 90.00 |
Refinement procedure
| Resolution | 19.930 - 2.850 |
| R-factor | 0.20265 |
| Rwork | 0.198 |
| R-free | 0.28774 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6aj6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.528 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.087 | 0.737 |
| Number of reflections | 44368 | 2089 |
| <I/σ(I)> | 7.6 | 1.33 |
| Completeness [%] | 92.4 | 93.1 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 6000, 100mM HEPES/NaOH pH 7.0, 200mM NaCl |
