4GVU
Lyngbyastatin 7-Porcine Pancreatic Elastase Co-crystal Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.399, 57.419, 74.328 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.710 - 1.550 |
| R-factor | 0.17754 |
| Rwork | 0.176 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v0b |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.709 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.560 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.044 | 0.550 |
| Number of reflections | 33573 | |
| <I/σ(I)> | 41.1 | 2 |
| Completeness [%] | 99.6 | 84 |
| Redundancy | 7.7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.01 M sodium acetate pH 5.0, 0.42 M sodium sulfate, hanging drop, lyngbyastatin 7 dissolved in methanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
