5B2H
Crystal structure of HA33 from Clostridium botulinum serotype C strain Yoichi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2013-11-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.000 |
Spacegroup name | H 3 |
Unit cell lengths | 142.517, 142.517, 126.794 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.700 - 2.200 |
R-factor | 0.1858 |
Rwork | 0.184 |
R-free | 0.21330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e4m |
RMSD bond length | 0.010 |
RMSD bond angle | 1.378 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.085 | 0.036 | 0.461 |
Rmeas | 0.106 | 0.045 | 0.574 |
Rpim | 0.062 | 0.026 | 0.338 |
Total number of observations | 141410 | ||
Number of reflections | 48719 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 100.0 | 99.4 | 99.8 |
Redundancy | 2.9 | 2.9 | 2.8 |
CC(1/2) | 0.997 | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris-HCl, 5% PEG400, 8% PEG 8000 |