1PA0
CRYSTAL STRUCTURE OF BNSP-7, A LYS49-PHOSPHOLIPASE A2
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 | IMAGE PLATE |
| Collection date | 2002-02-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.38 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.330, 57.330, 130.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| Rwork | 0.208 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BthTX-I (closed form) |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 | 0.646 |
| Number of reflections | 13254 | |
| <I/σ(I)> | 11.8 | 1.6 |
| Completeness [%] | 94.3 | 95.5 |
| Redundancy | 7.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 291 | PEG 6000, ammonium sulphate, sodium cacodilate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
