6C32
Mycobacterium smegmatis RimJ with AcCoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-16 |
Detector | RAYONIX MX325HE |
Wavelength(s) | 0.97931 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 63.531, 63.531, 227.542 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.067 - 1.898 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.010 |
High resolution limit [Å] | 1.898 | 1.898 |
Rmerge | 0.855 | |
Number of reflections | 40630 | 40630 |
<I/σ(I)> | 18.1 | 3.1 |
Completeness [%] | 99.4 | 84 |
Redundancy | 11.5 | |
CC(1/2) | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium citrate (pH 6.5), 20 % v/v 2-propanol and 20 % w/v polyethylene glycol 4000 |