8H2R
Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP52-53
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-05-26 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.385, 69.789, 88.338 |
| Unit cell angles | 90.00, 114.49, 90.00 |
Refinement procedure
| Resolution | 26.800 - 2.900 |
| R-factor | 0.2373 |
| Rwork | 0.225 |
| R-free | 0.34980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qb5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.231 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmeas | 0.140 | 0.630 |
| Number of reflections | 7547 | 7546 |
| <I/σ(I)> | 8.1 | 1.7 |
| Completeness [%] | 97.8 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 283 | 0.1 M sodium citrate pH 5, 0.1 M MgCl2, 15% v/v Polyethylene glycol 4000 |
