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) | 0.989 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.520, 102.360, 112.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.610 - 2.450 |
R-factor | 0.2264 |
Rwork | 0.224 |
R-free | 0.27360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nkx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.376 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.610 | 46.610 | 2.600 |
High resolution limit [Å] | 2.450 | 20.000 | 2.450 |
Rmerge | 0.057 | 0.028 | 0.923 |
Rmeas | 0.060 | 0.030 | 0.961 |
Total number of observations | 407229 | ||
Number of reflections | 31166 | 75 | 4986 |
<I/σ(I)> | 26.68 | 59.84 | 3.1 |
Completeness [%] | 99.9 | 88.2 | 99.8 |
Redundancy | 13.066 | 8.267 | 13.014 |
CC(1/2) | 1.000 | 1.000 | 0.959 |
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 |