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 |