1ND1
Amino acid sequence and crystal structure of BaP1, a metalloproteinase from Bothrops asper snake venom that exerts multiple tissue-damaging activities.
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-23 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.425, 60.364, 86.257 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.310 - 1.900 * |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.21590 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB_ID 1QUA |
RMSD bond length | 0.010 |
RMSD bond angle | 2.257 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 500.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.072 * | |
Total number of observations | 49843 * | |
Number of reflections | 14941 * | |
Completeness [%] | 92.1 | 51.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | PEG 20000, dioxane, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG20000 | 10 (%) | pH9.0 |
3 | 1 | reservoir | dioxane | 2 (%(v/v)) |