4CCQ
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-11-22 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.764, 92.220, 103.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 103.520 - 1.500 |
R-factor | 0.17339 |
Rwork | 0.172 |
R-free | 0.20663 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a5l |
RMSD bond length | 0.026 |
RMSD bond angle | 2.312 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 103.520 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.050 | 0.430 |
Number of reflections | 96810 | |
<I/σ(I)> | 11.4 | 1.7 |
Completeness [%] | 95.7 | 77.8 |
Redundancy | 3.8 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.2 M LITHIUM ACETATE, 20% PEG 3350, pH 7 |