1PO8
Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2003-04-03 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.790, 53.790, 82.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.260 - 2.710 |
R-factor | 0.20685 |
Rwork | 0.207 |
R-free | 0.23878 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.170 | 0.403 |
Number of reflections | 3380 | |
<I/σ(I)> | 5 | 1.2 |
Completeness [%] | 90.1 | 90.3 |
Redundancy | 2.34 | 2.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.05 M Tris-HCL, 2.4 M NaCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |