2PH4
Crystal structure of a novel Arg49 phospholipase A2 homologue from Zhaoermia mangshanensis venom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 64 |
| Unit cell lengths | 72.933, 72.933, 93.938 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.870 - 2.050 |
| R-factor | 0.21729 |
| Rwork | 0.209 |
| R-free | 0.28860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y4l |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.223 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.870 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.071 | 0.330 |
| Number of reflections | 17731 | |
| <I/σ(I)> | 33.4 | 2.8 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 12.5 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | polyethylene glycol 8,000; ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
