1ODC
STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2000-10-15 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.487, 111.487, 136.744 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.120 - 2.200 |
R-factor | 0.1991 |
Rwork | 0.199 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ace |
RMSD bond length | 0.020 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.049 | 0.287 |
Number of reflections | 50284 | |
<I/σ(I)> | 23.1 | |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 0.35 | 9.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 277 | PROTEIN WAS CRYSTALLISED FROM 28-33% V/V PEG 200 0.5M MES PH 5.8 AT 4 DEG. CELSIUS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 1MM N-4'-QUINOLYL-N'-9"-(1",2", 3",4"-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE DIHYRDOCHLORIDE FOR ONE DAY. |