1JIA
STRUCTURE OF A BASIC PHOSPHOLIPASE A2 FROM AGKISTRODON HALYS PALLAS AT 2.13A RESOLUTION
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 280 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-05 |
| Detector | SIEMENS-NICOLET X200B |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.130, 103.690, 23.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.130 |
| R-factor | 0.152 |
| Rwork | 0.152 |
| R-free | 0.25500 |
| Structure solution method | STRUCTURE REFINEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 23.400 * |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.230 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.046 | 0.176 |
| Total number of observations | 29753 * | |
| Number of reflections | 12001 | |
| <I/σ(I)> | 31.2 | 4.9 |
| Completeness [%] | 86.1 | 46.28 |
| Redundancy | 2.5 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 9.5 | THE PROTEIN SOLUTIONS CONTAINED 10MM CA2+, 0.1M NACL, 5% PEG 4K IN 0.01M CHESS BUFFER (PH 9.5) AND AN ENZYME CONCENTRATION OF 11MG/ML; THE SOLUTION IN RESERVOIR CONTAINED 10% PEG 4K IN SAME BUFFER, ROOM TEMPERATURE OF 17 DEGREES C. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | CHES | 0.05 (M) | |
| 3 | 1 | drop | 0.1 (M) | ||
| 4 | 1 | drop | PEG4000 | 5 (%(w/v)) | |
| 5 | 1 | drop | 10 (mg/ml) | ||
| 6 | 1 | reservoir | CHES | 0.05 (M) | |
| 7 | 1 | reservoir | 0.2 (M) | ||
| 8 | 1 | reservoir | PEG4000 | 10 (%(w/v)) | |
| 9 | 1 | reservoir | 20 (mg/ml) |
