Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 210.480, 450.410, 622.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.885 - 3.100 |
R-factor | 0.197081129841 |
Rwork | 0.196 |
R-free | 0.22725 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y4o |
RMSD bond length | 0.005 |
RMSD bond angle | 0.917 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.900 | 3.180 | |
High resolution limit [Å] | 3.100 | 13.860 | 3.100 |
Rmerge | 0.269 | 0.061 | 1.002 |
Number of reflections | 1057161 | ||
<I/σ(I)> | 8.98 | 27.76 | 1.82 |
Completeness [%] | 99.0 | 97.2 | 99.9 |
Redundancy | 12.7 | ||
CC(1/2) | 0.994 | 0.995 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 5.5% PEG 20k, 11% PEG 200, 100 mM TRIS-ACETATE, 200 mM KSCN, 10 mM MAGNESIUM ACETATE 2.8 mM DOBC |