6BPY
Aspergillus fumigatus Thioredoxin Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-07 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 159.220, 159.220, 121.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.970 - 3.201 |
R-factor | 0.2325 |
Rwork | 0.231 |
R-free | 0.26130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d8x |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.970 | 29.970 | 3.390 |
High resolution limit [Å] | 3.200 | 9.600 | 3.200 |
Rmerge | 0.191 | 0.066 | 2.309 |
Rmeas | 0.199 | 0.068 | 2.451 |
Rpim | 0.055 | 0.016 | 0.792 |
Number of reflections | 28434 | 1153 | 4208 |
<I/σ(I)> | 9.4 | ||
Completeness [%] | 95.9 | 96.7 | 88.9 |
Redundancy | 12.3 | 18.3 | 8.2 |
CC(1/2) | 0.994 | 0.999 | 0.441 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 289 | 32% Tacsimate |