1UMV
Crystal structure of an acidic, non-myotoxic phospholipase A2 from the venom of 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 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 39.990, 53.990, 90.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 1.790 |
R-factor | 0.164 |
Rwork | 0.161 |
R-free | 0.25500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1god |
RMSD bond length | 0.018 * |
RMSD bond angle | 1.900 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.046 | 0.153 |
Number of reflections | 9034 | 507 * |
<I/σ(I)> | 22.1 | 6 |
Completeness [%] | 94.3 * | 80.1 |
Redundancy | 5.7 | 1.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 4.6 | pH 4.60 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | sodium acetate | 0.1 (M) | pH4.6 |
2 | 1 | 1 | PEG4000 | 28 (%) | |
3 | 1 | 2 | protein | 10 (mg/ml) |