1UNE
CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS II |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01-26 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.120, 64.590, 38.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.22800 |
| Structure solution method | THE HIGH RESOLUTION ATOMIC COORDINATES OF THE WILD TYPE (PDB ENTRY 1BP2) WERE USED AS THE STARTING MODEL FOR REFINEMENT. |
| Starting model (for MR) | WILD TYPE (PDB ENTRY 1BP2) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 21.600 * |
| 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 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.046 | 0.172 |
| Total number of observations | 68591 * | |
| Number of reflections | 17572 | 1176 * |
| Completeness [%] | 92.0 | 63 |
| Redundancy | 3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | CRYSTALS WERE GROWN BY CO-CRYSTALLIZATION BY THE HANGING DROP VAPOR DIFFUSION METHOD USING THE CONDITIONS 5 (MICRO)L OF THE PROTEIN (15 MG/ML OF THE PROTEIN), 5MM CACL2, 50MM TRIS BUFFER, PH 7.2 AND 3.0 (MICRO)L OF 50% MPD IN THE DROPLET. THE RESERVOIR CONTAINED (50%) OF MPD., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9.3 (mg/ml) | |
| 2 | 1 | drop | 3 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 31 (mM) | |
| 4 | 1 | drop | MPD | 19 (%) | |
| 5 | 1 | reservoir | MPD | 50 (%) |
