Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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 | 2014-07-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976300 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 88.190, 88.190, 499.323 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.999 |
Rwork | 0.190 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jyi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.558 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.850 | 2.050 |
High resolution limit [Å] | 1.999 | 1.999 |
Number of reflections | 132474 | 9279 |
<I/σ(I)> | 18.5 | |
Completeness [%] | 98.6 | |
Redundancy | 13.2 | |
CC(1/2) | 0.990 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG-4000, 0.2 M calcium acetate, 0.1 M Tris-HCl, pH 7.5 |