Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 79.747, 79.747, 66.977 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.794 - 1.499 |
R-factor | 0.153 |
Rwork | 0.151 |
R-free | 0.18100 |
Starting model (for MR) | 2hxs |
RMSD bond length | 0.007 |
RMSD bond angle | 1.202 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.080 | 0.321 |
Number of reflections | 35232 | |
<I/σ(I)> | 47.1 | 10 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 19.2 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 100 mM NaCl, 100 mM potassium acetate, 5% glycerol, 20 mM HEPES, pH 7.50, 2mM MgCl2, vapor diffusion, hanging drop, temperature 293.0K |