7NRZ
Crystal structure of malate dehydrogenase from Trypanosoma cruzi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.040, 148.331, 251.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.319 - 2.600 |
R-factor | 0.2038 |
Rwork | 0.203 |
R-free | 0.21650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dfd |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.319 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 91983 | 8774 |
<I/σ(I)> | 15.18 | 1.6 |
Completeness [%] | 98.9 | 95.83 |
Redundancy | 11.8 | 10.3 |
CC(1/2) | 0.998 | 0.512 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 10% w/v PEG 8000, 20% v/v ethylene glycol, 30 mM Sodium nitrate, 30 mM Sodium Phosphate 30 mM Ammonium Sulphate, 0.1 M bicine/Trizma pH 8.5 |