5EPF
Crystal structure of Peroxidoxin BcpB from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-05 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 55.620, 72.140, 40.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.350 |
R-factor | 0.1424 |
Rwork | 0.141 |
R-free | 0.17410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3drn |
RMSD bond length | 0.008 |
RMSD bond angle | 0.945 |
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 | 1.390 | |
High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
Rmerge | 0.059 | 0.034 | 0.539 |
Rmeas | 0.062 | 0.036 | 0.565 |
Total number of observations | 391380 | ||
Number of reflections | 35895 | 470 | 2577 |
<I/σ(I)> | 25.71 | 55.53 | 4.84 |
Completeness [%] | 99.0 | 98.5 | 97.7 |
Redundancy | 10.9 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Mycrolytic MCSG1 e6: 20% PEG 3350, 200mM Potassium sulphate ; MytuD.00904.a.B1.PW37743 at 18.3 mg/ml, cryo: 20% EG, 1 step; tray: 266501e6; puck: qmk2-10 |