3UVE
Crystal structure of Carveol dehydrogenase ((+)-trans-carveol dehydrogenase) from Mycobacterium avium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978560 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 97.610, 59.440, 108.650 |
Unit cell angles | 90.00, 90.10, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
R-factor | 0.146 |
Rwork | 0.146 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t7c |
RMSD bond length | 0.014 |
RMSD bond angle | 1.534 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 | |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.061 | 0.021 | 0.468 |
Number of reflections | 161312 | 1604 | 12423 |
<I/σ(I)> | 12.79 | 38.7 | 2.4 |
Completeness [%] | 89.3 | 74.3 | 93.6 |
Redundancy | 2.72 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.62 | 290 | EBS internal tracking number 224967H10. From a focus screen based on JCSG C6. Reservoir: 42.5% PEG 300, 0.1 M phosphate-citrate, MyavA.01326.d.A1 PS00817 at 48 mg/mL, pH 4.62, VAPOR DIFFUSION, SITTING DROP, temperature 290K |