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 |
