3WG7
A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL3 |
Synchrotron site | SACLA |
Beamline | BL3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-21 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.241 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 182.600, 204.510, 178.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.19632 |
Rwork | 0.195 |
R-free | 0.22998 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyr |
RMSD bond length | 0.027 |
RMSD bond angle | 2.325 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.8.0048) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.243 | 0.408 |
Number of reflections | 500699 | |
<I/σ(I)> | 6.7 | 2.1 |
Completeness [%] | 96.2 | 95.1 |
Redundancy | 3.8 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch | 5.7 | 277 | 40mM sodium phosphate, 0.2% decylmaltoside, pH 5.7, BATCH, temperature 277K, Batch |