4HG9
Crystal structure of AhV_bPA, a basic PLA2 from Agkistrodon halys pallas venom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97924 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.953, 53.959, 108.433 |
| Unit cell angles | 90.00, 111.48, 90.00 |
Refinement procedure
| Resolution | 29.000 - 1.600 |
| R-factor | 0.17258 |
| Rwork | 0.171 |
| R-free | 0.19272 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jia |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.219 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.343 | |
| Number of reflections | 68360 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 97.2 | 90.8 |
| Redundancy | 2.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 287 | 18% MPEG5000, 0.1 M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
