5CJ5
Structure of Mycobacterium thermoresistibile GlgE APO form at 3.13A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 6 |
Unit cell lengths | 197.639, 197.639, 105.623 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 171.160 - 3.130 |
R-factor | 0.2649 |
Rwork | 0.259 |
R-free | 0.30830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cgm |
RMSD bond length | 0.013 |
RMSD bond angle | 1.832 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 171.160 | 171.160 | 3.300 |
High resolution limit [Å] | 3.130 | 9.900 | 3.130 |
Rmerge | 0.060 | 1.541 | |
Rmeas | 0.234 | ||
Rpim | 0.063 | 0.017 | 0.447 |
Total number of observations | 563635 | 17590 | 82934 |
Number of reflections | 41628 | ||
<I/σ(I)> | 13 | 38.3 | 2.3 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 13.5 | 12.7 | 13.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, Bicine pH9.5, Sodium malonate |