6F1S
C-terminal domain of CglI restriction endonuclease H subunit
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9802, 0.9803, 0.9779 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 75.704, 75.704, 95.044 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.477 - 2.400 |
R-factor | 0.1759 |
Rwork | 0.172 |
R-free | 0.21470 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.794 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELXDE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.967 | 53.967 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.038 | 0.258 | |
Rmeas | 0.082 | 0.053 | 0.270 |
Rpim | 0.013 | 0.009 | 0.045 |
Total number of observations | 245242 | ||
Number of reflections | 6654 | 269 | 874 |
<I/σ(I)> | 51.3 | 13.7 | 2.6 |
Completeness [%] | 98.6 | 99.5 | 91.5 |
Redundancy | 36.9 | 28.9 | 35.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Crystallization buffer was 0.1 M Tris-HCl (pH 8.5), 27% PEG3350, 7% Tacsimate |