5LZI
Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.170, 75.870, 125.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.200 - 1.600 |
| R-factor | 0.1485 |
| Rwork | 0.147 |
| R-free | 0.17580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1efi |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.236 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.200 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.055 | 0.219 |
| Number of reflections | 74271 | |
| <I/σ(I)> | 10.9 | 3.1 |
| Completeness [%] | 92.9 | 61.7 |
| Redundancy | 2.9 | 2 |
| CC(1/2) | 0.996 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Sodium cacodylate, PEG |
