3PK0
Crystal structure of Short-chain dehydrogenase/reductase SDR from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.541780 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.140, 78.010, 155.430 |
Unit cell angles | 90.00, 102.22, 90.00 |
Refinement procedure
Resolution | 41.230 - 1.750 |
R-factor | 0.152 |
Rwork | 0.150 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uvd |
RMSD bond length | 0.018 |
RMSD bond angle | 1.520 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.230 | 41.230 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.057 | 0.027 | 0.480 |
Number of reflections | 102002 | 1234 | 6635 |
<I/σ(I)> | 20.47 | 57.4 | 3.2 |
Completeness [%] | 96.1 | 99 | 85.2 |
Redundancy | 7.53 | 4.57 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Internal tracking number 216858D10. JCSG+ screen condition D10: 0.2 M CaOAc2, 0.1 M MES cacodylate pH 6.5, 40% PEG300, MysmA.01365.d.A1 PW 28823 at 28.7 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K |