4H0S
Crystal structure analysis of a basic phospholipase A2 from Trimeresurus stejnegeri venom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-10-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.946, 71.436, 53.607 |
| Unit cell angles | 90.00, 103.53, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.550 |
| R-factor | 0.18311 |
| Rwork | 0.181 |
| R-free | 0.22316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b4w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.066 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.433 | |
| Number of reflections | 50982 | |
| <I/σ(I)> | 3.9 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 2.2 M sodium chloride, 16% PEG6000, 0.015 mM CYMAL-7, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
