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 |