6C75
Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a monoclinic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2013-04-11 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54187 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.125, 99.248, 67.487 |
Unit cell angles | 90.00, 103.16, 90.00 |
Refinement procedure
Resolution | 49.610 - 2.400 |
R-factor | 0.14636 |
Rwork | 0.143 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o2d |
RMSD bond length | 0.003 |
RMSD bond angle | 0.615 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.610 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.234 | 0.749 |
Rmeas | 0.253 | 0.993 |
Rpim | 0.092 | 0.646 |
Number of reflections | 23385 | 677 |
<I/σ(I)> | 12 | 1.8 |
Completeness [%] | 79.0 | 22 |
Redundancy | 6.5 | 1.7 |
CC(1/2) | 0.982 | 0.368 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M Sodium acetate, 8% PEG 4000, pH 4.5 |