6CY3
Horse liver E267N alcohol dehydrogenase complex with 3'-dephosphocoenzyme A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 55.510, 74.010, 182.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.2308 |
Rwork | 0.222 |
R-free | 0.31010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qlh |
RMSD bond length | 0.011 |
RMSD bond angle | 1.586 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.9.8L) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 19.960 | 2.380 |
High resolution limit [Å] | 2.300 | 4.930 | 2.300 |
Rmerge | 0.083 | 0.039 | 0.253 |
Rmeas | 0.091 | 0.044 | 0.276 |
Rpim | 0.042 | 0.119 | |
Number of reflections | 14923 | 1399 | 1568 |
<I/σ(I)> | 12.4 | 35.8 | 4.6 |
Completeness [%] | 87.1 | 76.4 | 93.9 |
Redundancy | 4.97 | 4.07 | 5.5 |
CC(1/2) | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 8.4 | 278 | 10 mtg/ml enzyme dialyzed against 50 mM tris(hydroxymethyl)aminomethane-HCl, 0.25 mM EDTA, containing 2-methy-2,4-pentanediol increasing to 25 %. |