4X2C
Clostridium difficile Fic protein_0569 mutant S31A, E35A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.03841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.370, 67.290, 139.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.100 - 1.800 |
R-factor | 0.1823 |
Rwork | 0.181 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cuc |
RMSD bond length | 0.008 |
RMSD bond angle | 0.999 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.120 | 1.900 | |
High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
Rmerge | 0.070 | 0.022 | 0.881 |
Rmeas | 0.077 | 0.024 | 0.957 |
Total number of observations | 301559 | ||
Number of reflections | 46011 | 240 | 6663 |
<I/σ(I)> | 19.04 | 58.28 | 2.3 |
Completeness [%] | 98.6 | 70.2 | 97.2 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M MgCl2-6xH2O 25.0 % (w/v) PEG 3350, 0.1 M HEPES pH 7.5 |