1C1J
STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 280 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-03-17 |
| Detector | XENTRONICS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.180, 54.010, 108.490 |
| Unit cell angles | 90.00, 111.59, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| Rwork | 0.201 |
| R-free | 0.28200 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.230 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.108 | 0.370 |
| Number of reflections | 13017 | |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 96.2 | 95 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 4000, n-octyl beta-D-glycopyranoside, CaCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 291K |
