1KVY
CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT D49E COORDINATED TO CALCIUM
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS II |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-02 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 46.870, 46.870, 103.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.27700 |
| Structure solution method | THE HIGH RESOLUTION ATOMIC COORDINATES OF THE WILD TYPE (PDB ENTRY 1MKT) WERE USED AS THE STARTING MODEL FOR FURTHER REFINEMENT |
| Starting model (for MR) | WILD TYPE PDB ENTRY 1MKT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 23.100 * |
| Data reduction software | R-AXIS (IIC) |
| Data scaling software | R-AXIS (II) |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.225 |
| Total number of observations | 43149 * | |
| Number of reflections | 9912 | |
| Completeness [%] | 92.0 | 79 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 * | CRYSTALS WERE GROWN OVER A PERIOD OF ELEVEN MONTHS USING THE HANGING DROP VAPOR DIFFUSION METHOD BY EMPLOYING THE CONDITIONS 5 (MICRO)L OF THE PROTEIN (20 MG/ML OF THE PROTEIN), 5MM CACL2, 50MM TRIS BUFFER, PH 7.2 AND 2.5 (MICRO)L OF 75% MPD IN THE DROPLET. THE RESERVOIR CONTAINED (55%) OF MPD., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | drop | Tris | 7.9 (mM) | |
| 3 | 1 | drop | 3.6 (mM) | ||
| 4 | 1 | drop | MPD | 14 (%) | |
| 5 | 1 | reservoir | MPD | 75 (%) |
