Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99983 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.221, 104.075, 114.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.850 - 2.380 |
R-factor | 0.2271 |
Rwork | 0.224 |
R-free | 0.27720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nkx |
RMSD bond length | 0.021 |
RMSD bond angle | 1.900 |
Data reduction software | XSCALE |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.850 | 2.500 | |
High resolution limit [Å] | 2.380 | 40.000 | 2.380 |
Rmerge | 0.066 | 0.037 | 0.598 |
Number of reflections | 35499 | ||
<I/σ(I)> | 16.76 | 35.98 | 3.11 |
Completeness [%] | 99.7 | 27.3 | 99.9 |
Redundancy | 6.4 | ||
CC(1/2) | 0.999 | 1.000 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277.15 | 0.17 M Ammonium acetate; 0.085 M Sodium citrate pH 5.6; 25.5%(w/v) PEG 4000; 15%(v/v) Glycerol |