7UNN
Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-28 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.174, 65.356, 68.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.480 - 1.450 |
R-factor | 0.1158 |
Rwork | 0.114 |
R-free | 0.15260 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.589 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.480 | 30.480 | 1.480 |
High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
Rmerge | 0.084 | 0.052 | 0.951 |
Rmeas | 0.091 | 0.056 | 1.151 |
Rpim | 0.035 | 0.022 | 0.629 |
Number of reflections | 42523 | 2312 | 1851 |
<I/σ(I)> | 10.6 | 1.09 | |
Completeness [%] | 99.4 | 99.3 | 89.6 |
Redundancy | 6.3 | 6.5 | 2.8 |
CC(1/2) | 0.992 | 0.997 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 277 | 6.4 % PEG 200, 21.4 % PEG 2000, 50 mM acetate buffer |