1ZGC
Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2003-10-02 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.996, 105.543, 150.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.500 - 2.100 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.036 |
RMSD bond angle | 2.506 |
Data reduction software | STRATEGY |
Data scaling software | CCP4 ((TRUNCATE)) |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.500 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.078 | 0.396 |
Number of reflections | 84805 | |
<I/σ(I)> | 18.1 | 3.83 |
Completeness [%] | 99.4 | 98.5 |
Redundancy | 0.61 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 277 | PEG 200, pH 5.8, temperature 277K, VAPOR DIFFUSION, SITTING DROP. PROTEIN WAS CRYSTALLISED FROM 28-30% V/V PEG 200 0.5 M MES PH 5.8 AT 277K, WITHOUT SEEDING WITH MICROCRYSTALS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 4MM (RS)-(+/-)- TACRINE(10)-HUPYRIDONE ((5RS)-(+/-)-5-{[10-(1,2,3,4- TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}5,6,7,8-TETRAHYDRO-QUINOLIN-2(1H)-ONE) BIS-OXALATE FOR 40 HOURS. |