7YMU
Structure of Alcohol dehydrogenase from [Candida] glabrata
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 18-ID |
Synchrotron site | APS |
Beamline | 18-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-01-01 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.570, 102.750, 179.690 |
Unit cell angles | 90.00, 95.64, 90.00 |
Refinement procedure
Resolution | 44.710 - 1.900 |
R-factor | 0.1899 |
Rwork | 0.188 |
R-free | 0.23620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b6k |
Data reduction software | HKL-3000 |
Data scaling software | Aimless (0.7.4) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.620 | 46.620 | 1.930 |
High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
Rmerge | 0.080 | 0.053 | 0.714 |
Rmeas | 0.087 | 0.058 | 0.792 |
Rpim | 0.033 | 0.023 | 0.333 |
Total number of observations | 655074 | 3848 | 22491 |
Number of reflections | 97729 | 619 | 4165 |
<I/σ(I)> | 13.4 | 31.8 | 2.1 |
Completeness [%] | 98.8 | 97.5 | 84.6 |
Redundancy | 6.7 | 6.2 | 5.4 |
CC(1/2) | 0.998 | 0.996 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 1.2M Ammonium citrate tribasic, 8% PEG 2000, pH 7.3 |