1U73
Crystal structure of a Dimeric Acidic Platelet Aggregation Inhibitor and Hypotensive Phospholipase A2 from Bothrops jararacussu
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 | 2002-02-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.38 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.193, 63.136, 47.407 |
| Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
| Resolution | 29.700 - 1.900 |
| Rwork | 0.190 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BthA-I (monomeric form) |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.045 | 0.293 |
| Number of reflections | 14151 | |
| <I/σ(I)> | 20.1 | 5 |
| Completeness [%] | 93.3 | 87.7 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 291 | ammonium sulfate, PEG 6000, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
