4N5R
Hen egg-white lysozyme phased using free-electron laser data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2013-03-08 |
Detector | Cornell-SLAC Pixel Array Detector (CSPAD) |
Wavelength(s) | 1.45 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.100, 79.100, 39.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.550 - 2.100 |
R-factor | 0.2322 |
Rwork | 0.231 |
R-free | 0.25632 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vds |
RMSD bond length | 0.008 |
RMSD bond angle | 1.285 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.100 |
Number of reflections | 7294 |
Completeness [%] | 100.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 3 | 293 | 20 % NaCl, 6 % PEG 6000, 1 M Na acetate pH 3.0, stored in 8% NaCl, 0.1 M sodium acetate buffer, pH 4.0, soaked in storage solution + 100 mM gadoteridol, batch, temperature 293K |