8FBE
Crystal structure of OrfX1 from Clostridium botulinum E1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 32 |
Unit cell lengths | 56.602, 56.602, 84.299 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.940 - 1.730 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.21650 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.940 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 31471 | 1762 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 99.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.999 | 0.555 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291.15 | 25 % Polyethylene glycol (PEG) 3550 (Hampton Research), 0.2 M ammonium acetate and 0.1 M Bis-tris pH 5.5 |