4X2E
Clostridium difficile wild type Fic protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8729 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.420, 157.370, 262.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.945 - 3.104 |
R-factor | 0.2454 |
Rwork | 0.243 |
R-free | 0.28580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x2c |
RMSD bond length | 0.003 |
RMSD bond angle | 0.733 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.930 | 3.200 | |
High resolution limit [Å] | 3.100 | 10.000 | 3.100 |
Rmerge | 0.161 | 0.049 | 1.069 |
Rmeas | 0.173 | 0.053 | 1.140 |
Total number of observations | 178303 | ||
Number of reflections | 22213 | 745 | 1999 |
<I/σ(I)> | 9.71 | 26.06 | 1.7 |
Completeness [%] | 99.9 | 98.2 | 99.9 |
Redundancy | 8.02 | 8.41 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25 % (w/v) PEG 8000, 0.2 M MgCl2, 0.1 M Hepes pH 7.5. |