3MLM
Crystal structure of Bn IV in complex with myristic acid: A Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom
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 | CCD |
| Collection date | 2008-04-10 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.423 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.801, 70.466, 44.006 |
| Unit cell angles | 90.00, 109.32, 90.00 |
Refinement procedure
| Resolution | 32.490 - 2.210 |
| R-factor | 0.20743 |
| Rwork | 0.205 |
| R-free | 0.25328 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pc9 |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.579 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.528 | 2.320 |
| High resolution limit [Å] | 2.203 | 2.200 |
| Rmerge | 0.090 | 0.306 |
| Number of reflections | 10927 | |
| <I/σ(I)> | 6.5 | 2.3 |
| Completeness [%] | 96.0 | 88.6 |
| Redundancy | 11.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Buffer Tris 0.1 M pH 8.5, PEG 4000 30%, lithium sulphate 0.2M, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
