3RLH
Crystal structure of a class II phospholipase D from Loxosceles intermedia venom
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.458 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.810, 49.300, 56.300 |
| Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
| Resolution | 23.740 - 1.720 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.19710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xx1 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.567 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.165 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.090 | 0.468 |
| Number of reflections | 28041 | 28041 |
| <I/σ(I)> | 8.1 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M Tris-HCl pH 7.5, 40%(v/v) PEG200, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
