Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.900 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 122.040, 122.040, 257.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.095 - 2.880 |
Rwork | 0.182 |
R-free | 0.27340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Phaser |
RMSD bond length | 0.008 |
RMSD bond angle | 1.606 |
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] | 66.610 | 2.950 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.104 | 1.803 |
Rmeas | 0.115 | 2.019 |
Rpim | 0.037 | 0.649 |
Number of reflections | 51118 | 3710 |
<I/σ(I)> | 13.5 | 1.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 9.8 | 9.6 |
CC(1/2) | 0.998 | 0.529 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 289 | 18% PEG 12000 0.1M Na/K phosphate pH 6.2 0.2M NaCl 4mM DTT in the presence of 3-fold molar excess of IP6. |