4PNJ
Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE XPP |
Synchrotron site | SLAC LCLS |
Beamline | XPP |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-07 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.31 |
Spacegroup name | P 6 |
Unit cell lengths | 90.309, 90.309, 45.204 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.105 - 1.360 |
R-factor | 0.1603 |
Rwork | 0.159 |
R-free | 0.18810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vxa |
RMSD bond length | 0.013 |
RMSD bond angle | 1.432 |
Data reduction software | cctbx.xfel |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.150 | 1.370 |
High resolution limit [Å] | 1.360 | 1.360 |
Number of reflections | 43767 | |
<I/σ(I)> | 33.94 | |
Completeness [%] | 95.7 | 52 |
Redundancy | 25.1 | 1.57 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | 2.2 - 2.8M (NH4)2SO4 in 20mM TrisHCl |