3TZQ
Crystal structure of a short-chain type dehydrogenase/reductase from Mycobacterium marinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.670, 122.070, 125.290 |
Unit cell angles | 90.00, 101.03, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.500 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.24400 |
Structure solution method | MR |
Starting model (for MR) | 3gvc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.363 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.920 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.119 | 0.389 |
Number of reflections | 69690 | |
<I/σ(I)> | 8.96 | 2.4 |
Completeness [%] | 97.9 | 92.9 |
Redundancy | 2.632 | 2.238 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Internal tracking number 218453, JCSG screen D06: 0.1 M Tris, pH 8.5, 200 mM magnesium chloride, 20% w/v PEG8000, MYMAA.00472.C.A1 PS00808 26.49 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 290.0K |