Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 40.050, 40.050, 134.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.379 - 1.370 |
Rwork | 0.126 |
R-free | 0.17390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gpu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.620 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.380 | 1.410 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmeas | 0.060 | 1.070 |
Number of reflections | 23979 | 1734 |
<I/σ(I)> | 23.9 | 2.1 |
Completeness [%] | 99.9 | |
Redundancy | 8.3 | |
CC(1/2) | 1.000 | 0.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris-Hcl pH 8.0, 20 mM MgCl2, 28% PEG 4000, 15 mM CoCl2 |