4RGB
Crystal structure of a putative carveol dehydrogenase from Mycobacterium avium bound to NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-02 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.530, 106.370, 135.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tsc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.441 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.052 | 0.020 | 0.382 |
| Number of reflections | 43134 | 544 | 2948 |
| <I/σ(I)> | 21.84 | 71.64 | 2.75 |
| Completeness [%] | 98.3 | 97.1 | 92 |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | MyavA.01326.g.A1 PS01550 at 20 mg/mL with 2.5 mM NAD against MCSG1 condition C12, 0.1 M BisTrisHCL pH 6.5, 25% PEG 3350 supplemented with 15% EG as cryo-protectant, crystal tracking ID 257485c12, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
