Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | KURCHATOV SNC BEAMLINE K4.4 |
Synchrotron site | KURCHATOV SNC |
Beamline | K4.4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.985 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.150, 81.540, 78.500 |
Unit cell angles | 90.00, 104.75, 90.00 |
Refinement procedure
Resolution | 75.910 - 1.750 |
R-factor | 0.16193 |
Rwork | 0.160 |
R-free | 0.19510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.810 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.912 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.060 | 0.335 |
Number of reflections | 52971 | |
<I/σ(I)> | 11.27 | 2.61 |
Completeness [%] | 89.4 | 77.6 |
Redundancy | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.01 M zinc acetate, 0.1M sodium cacodylate, 20% PEG 8000 |