1MKV
CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)
Experimental procedure
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 291 |
Collection date | 1995-11-08 |
Detector | SIEMENS |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 46.580, 46.580, 102.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 1.890 |
R-factor | 0.18 |
Rwork | 0.180 |
Structure solution method | THE HIGH RESOLUTION ATOMIC COORDINATES OF THE WILD TYPE |
Starting model (for MR) | WILD TYPE |
RMSD bond length | 0.014 |
RMSD bond angle | 22.700 * |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.010 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.071 * | |
Total number of observations | 44425 * | |
Number of reflections | 8758 | |
Completeness [%] | 72.0 * | |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | CRYSTALS WERE GROWN BY CO-CRYSTALLIZATION BY THE HANGING DROP VAPOR DIFFUSION METHOD USING THE CONDITIONS 5 (MICRO)L OF THE MUTANT PROTEIN (20MG/ML OF THE PROTEIN), 5MM CACL2, 50MM TRIS BUFFER, PH 7.2 AND 2.5 (MICRO)L OF 75% MPD AND 2.0 (MICRO)L OF (2MM) IN THE DROPLET. THE RESERVOIR CONTAINED (50%) OF MPD., pH 7.5, vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 50 (mM) | |
3 | 1 | drop | MPD | 75 (%) | |
4 | 1 | drop | inhibitor | 2 (mM) | |
5 | 1 | reservoir | MPD | 50 (%) |