3RQ0
The crystal structure of a glycosyl hydrolases (GH) family protein 16 from Mycobacterium smegmatis str. MC2 155
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 117.420, 117.420, 54.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.514 - 2.020 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19280 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.081 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.050 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.133 | 0.684 |
Number of reflections | 24834 | |
<I/σ(I)> | 19.8 | 2.7 |
Completeness [%] | 96.2 | 90.8 |
Redundancy | 9.8 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | 0.1M Na2HPO4:Citric Acid, 40% (v/v) PEG300, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |