8F8F
The structure of Rv2173 from M. tuberculosis (APO form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2013-06-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953700 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.797, 190.713, 66.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 2.000 |
R-factor | 0.2134 |
Rwork | 0.212 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.454 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.760 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.124 | 3.250 |
Rmeas | 0.128 | 3.364 |
Rpim | 0.033 | 0.865 |
Total number of observations | 1039648 | 66769 |
Number of reflections | 71090 | 4495 |
<I/σ(I)> | 17.8 | 1.2 |
Completeness [%] | 99.9 | |
Redundancy | 14.6 | 14.9 |
CC(1/2) | 0.999 | 0.384 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 0.1 M Bicine-Tris, pH 8.3, 10% PEG4000, 24% glycerol, 0.03 M DC mix (Ca2+/Mg2+ mix) |