1Q6V
First crystal structure of a C49 monomer PLA2 from the venom of Daboia russelli pulchella at 1.8 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Collection date | 2003-04-23 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5412 |
Spacegroup name | P 43 |
Unit cell lengths | 53.070, 53.070, 48.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.860 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1FVO.pdb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 11071 | |
<I/σ(I)> | 24.3 | 2.1 |
Completeness [%] | 98.1 | 95.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 30%PEG4000, 0.2M Ammonium Sulphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |