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 |