6TMY
Crystal structure of isoform CBd of the basic phospholipase A2 subunit of crotoxin from Crotalus durissus terrificus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 149.626, 75.592, 109.012 |
Unit cell angles | 90.00, 121.85, 90.00 |
Refinement procedure
Resolution | 47.500 - 1.800 |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3R0L POLYPEPTIDE CHAIN D |
RMSD bond length | 0.010 |
RMSD bond angle | 0.880 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.500 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.078 | 0.834 |
Number of reflections | 94489 | 4708 |
<I/σ(I)> | 9.6 | 1.5 |
Completeness [%] | 98.9 | 97 |
Redundancy | 4.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 400, 0.1M NACL, 0.18M SODIUM ACETATE, 0.1M TRIS |