Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.850, 74.470, 89.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.360 - 2.400 |
R-factor | 0.22166 |
Rwork | 0.219 |
R-free | 0.26845 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n1c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.515 |
Data reduction software | XDS (VERSION March 30, 2013) |
Data scaling software | XDS (VERSION Oct 15, 2015) |
Phasing software | MOLREP (11.0.15) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.083 | 0.830 |
Number of reflections | 16231 | 2440 |
<I/σ(I)> | 1.45 | 2.5 |
Completeness [%] | 99.0 | 94.7 |
Redundancy | 7 | 7.1 |
CC(1/2) | 0.999 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 200 mM NaCl, 200 mM Na Citrate pH 4.2 and 15%polyethylene glycol monomethylether 5000 |