3TL3
Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans
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 | 2011-06-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 54.946, 73.245, 109.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.1788 |
Rwork | 0.177 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uay |
RMSD bond length | 0.009 |
RMSD bond angle | 1.342 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.082 | 0.055 | 0.435 |
Number of reflections | 38385 | ||
<I/σ(I)> | 11.7 | ||
Completeness [%] | 99.5 | 99.3 | 99 |
Redundancy | 4.8 | 4.5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 25.7 mg/mL MyulA.00554.a.A1 PS00974. 0.1 M MMT buffer, pH 8.0, 25% PEG1500, cryoprotection 20% ethylene glycol , VAPOR DIFFUSION, SITTING DROP, temperature 289K |