5AQ1
Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-04 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 154.946, 154.946, 348.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 141.570 - 2.650 |
R-factor | 0.20118 |
Rwork | 0.200 |
R-free | 0.22553 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4E9I |
RMSD bond length | 0.005 |
RMSD bond angle | 1.048 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.130 | 2.720 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.120 | 0.790 |
Number of reflections | 58510 | |
<I/σ(I)> | 11.1 | 2.5 |
Completeness [%] | 95.4 | 96.9 |
Redundancy | 8.7 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | PROTEIN: 2UL TCG6PD 10MG/ML, 5MM G6P, 2 MM NADPH; BUFFER: 20 MM TRIS PH 8.0 WITH 0.2 M NACL AND 5 MM ME PRECIPITANT: 1 UL JEFFAMINE ED-2003 PH 7.0 30%, 0.1 M HEPES PH 7.0; |