5W4C
Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4586 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.140, 108.828, 70.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.940 - 2.255 |
R-factor | 0.1692 |
Rwork | 0.166 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3itj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.883 |
Data reduction software | DENZO (HKL 2000-7044) |
Data scaling software | SCALEPACK (HKL2000-7044) |
Phasing software | PHASER (7.0.004) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.940 | |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.204 | 0.829 |
Rpim | 0.090 | 0.367 |
Number of reflections | 31825 | |
<I/σ(I)> | 2.58 | |
Completeness [%] | 99.9 | |
Redundancy | 5.9 | |
CC(1/2) | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 294 | 11.4% PEG 8000, 20% V/V glycerol, 80 mM MES pH 6.3 and 160 mM Calcium acetate |