3SVT
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 | 2011-05-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.185, 64.542, 118.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.620 - 2.000 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fmc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.333 |
| 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] | 42.620 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.086 | 0.033 | 0.406 |
| Number of reflections | 32329 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 98.8 | 99.6 | 99.8 |
| Redundancy | 4.4 | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 40% PEG300, 0.1 M cacodylate, pH 6.5, 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
