Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.450, 57.450, 114.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.390 - 1.450 |
R-factor | 0.1969 |
Rwork | 0.195 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cbt |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.390 | 1.489 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.063 | 0.409 |
Number of reflections | 34902 | 2468 |
<I/σ(I)> | 20.9 | |
Completeness [%] | 100.0 | |
Redundancy | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.17 M Sodium acetate trihydrate,0.085 M Sodium cacodylate trihydrate pH 6.5,25.5% w/v Polyethylene glycol 8,000. |