6CXX
Horse liver E267H alcohol dehydrogenase complex with 3'-dephosphocoenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.210, 73.080, 181.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.260 |
R-factor | 0.1727 |
Rwork | 0.172 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qlh |
RMSD bond length | 0.017 |
RMSD bond angle | 1.972 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.9.8L) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 19.820 | 1.310 |
High resolution limit [Å] | 1.260 | 2.710 | 1.260 |
Rmerge | 0.096 | 0.045 | 0.635 |
Rmeas | 0.105 | 0.050 | 0.691 |
Rpim | 0.042 | 0.269 | |
Number of reflections | 191863 | 17819 | 19615 |
<I/σ(I)> | 7.6 | 28.1 | 2.1 |
Completeness [%] | 96.6 | 86.4 | 99.9 |
Redundancy | 6.24 | 5.56 | 6.58 |
CC(1/2) | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 8.4 | 278 | 10 mg/ml protein dialyzed against 50 mM tris(hydroxymethyl)aminomethane-HCl, 0.25 mM EDTA, with methylpentanediol increasing to 25 %. |