3QLJ
Crystal structure of a short chain dehydrogenase from Mycobacterium avium
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 | 2011-01-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.520, 129.900, 91.860 |
| Unit cell angles | 90.00, 109.86, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.16164 |
| Rwork | 0.160 |
| R-free | 0.19405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zbq |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.365 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.850 | |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.052 | 0.024 | 0.435 |
| Number of reflections | 165849 | ||
| <I/σ(I)> | 18.1 | 46.7 | 3.35 |
| Completeness [%] | 99.8 | 97.7 | 99.8 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | MymaA.01582.a.A1 PS00686 at 57.1 mg/mL against JCSG+ screen condition C11, 0.1 M NaOAc pH 4.6, 2 M ammonium sulfate with 25% ethylene glycol as cryo-protectant, crystal tracking ID 217306c11, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
