6AJB
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADH, 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 | 120.520, 70.464, 121.929 |
Unit cell angles | 90.00, 113.42, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.900 |
R-factor | 0.19645 |
Rwork | 0.192 |
R-free | 0.28356 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6aj6 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.898 |
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 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.098 | 0.692 |
Number of reflections | 39505 | 1842 |
<I/σ(I)> | 5.7 | 1.03 |
Completeness [%] | 93.8 | 89.2 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 6000, 100 mM HEPES/NaOH pH 7.0, 200mM NaCl |