6CKP
Crystal structure of a thioredoxin domain 2 from Brucella melitensis at 1.15 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 41 |
Unit cell lengths | 40.240, 40.240, 63.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.150 |
R-factor | 0.1417 |
Rwork | 0.141 |
R-free | 0.16120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yj7 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 40.240 | 1.180 |
High resolution limit [Å] | 1.150 | 5.140 | 1.150 |
Rmerge | 0.055 | 0.036 | 0.569 |
Rmeas | 0.060 | 0.040 | 0.625 |
Number of reflections | 36050 | 419 | 2662 |
<I/σ(I)> | 15.15 | 36.82 | 2.78 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 6.07 | 5.816 | 5.956 |
CC(1/2) | 0.999 | 0.997 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 0.4 mg/mL BrabA.00029.a.A1.PB00087 with Emerald Biostructures Primary Precipitant #18 (2 M lithium sulfate, 2% PEG400, 100 mM Tris base, pH 8.5), dc, lbx1-3 |