Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97910 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 47.714, 47.714, 193.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.300 - 1.900 |
R-factor | 0.179 |
Rwork | 0.175 |
R-free | 0.21280 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.644 |
Data reduction software | HKL-2000 |
Phasing software | PHENIX (1.9_1690) |
Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.300 | 1.950 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 37570 | |
<I/σ(I)> | 22.87 | 1.13 |
Completeness [%] | 99.8 | 98.1 |
Redundancy | 1.81 | 1.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | zinc acetate, sodium cacodylate, magnesium chloride, isopropanol |