4H56
Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-12 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 313.230, 168.040, 160.460 |
Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
Resolution | 27.700 - 3.900 |
R-factor | 0.2851 |
Rwork | 0.284 |
R-free | 0.30890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ahl |
RMSD bond length | 0.003 |
RMSD bond angle | 0.832 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER (MR) |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.700 | 4.110 |
High resolution limit [Å] | 3.900 | 3.900 |
Rmerge | 0.344 | 0.685 |
Number of reflections | 69515 | |
<I/σ(I)> | 3.7 | 2 |
Completeness [%] | 97.0 | 97 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.15 | 12% PEG 4000, 100 mM Sodium cacodylate, 0.1 mM Polyethylene glycol dodecyl ether , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289.15K |