7BZ6
Mycobacterium bovis AhpC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 137.554, 137.554, 96.842 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.039 - 3.302 |
R-factor | 0.311 |
Rwork | 0.309 |
R-free | 0.34400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bmx |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.083 | 0.589 |
Rmeas | 0.085 | 0.630 |
Rpim | 0.018 | 0.211 |
Number of reflections | 8387 | 727 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 98.0 | 88.1 |
Redundancy | 11.8 | 6.9 |
CC(1/2) | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 291 | 0.1 M sodium citrate, 16% ammonium sulfate |