2QHE
Crystal structure of Ser49-PLA2 (ecarpholin S) from Echis carinatus sochureki snake venom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.231, 39.487, 68.942 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.192 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jia |
RMSD bond length | 0.005 |
RMSD bond angle | 1.258 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.051 | 0.047 | 0.140 |
Number of reflections | 6463 | ||
<I/σ(I)> | 30.8 | ||
Completeness [%] | 95.7 | 90.5 | 87.4 |
Redundancy | 5 | 4.9 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.6 | 293 | 20% PEG3350, 20% iso-propanol, 0.1M sodium citrate pH5.6, EVAPORATION, temperature 293K |