5SV2
Toxin VapC21 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-22 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.2398 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 61.339, 44.351, 56.530 |
Unit cell angles | 90.00, 101.72, 90.00 |
Refinement procedure
Resolution | 30.030 - 1.310 |
R-factor | 0.1428 |
Rwork | 0.142 |
R-free | 0.15970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h87 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.961 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.678 | 35.678 | 1.390 |
High resolution limit [Å] | 1.310 | 3.910 | 1.310 |
Rmerge | 0.036 | 0.029 | 0.384 |
Number of reflections | 67560 | ||
<I/σ(I)> | 22.4 | 53.3 | 2.5 |
Completeness [%] | 96.2 | 99.8 | 84 |
Redundancy | 8.3 | ||
CC(1/2) | 0.999 | 0.999 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 0.1 M Hepes pH 7.5, 8% v/v ethylene glycol, 10% w/v polyethylene glycol 8,000 |