5E7C
Macromolecular diffractive imaging using imperfect crystals - Bragg 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] | 293.15 |
| Detector technology | PIXEL |
| Collection date | 2014-11-08 |
| Detector | CS-PAD CXI-2 |
| Wavelength(s) | 1.308 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 133.250, 226.260, 307.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.925 - 4.500 |
| R-factor | 0.2479 |
| Rwork | 0.246 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | modified version of 3ARC |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.482 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 4.620 |
| High resolution limit [Å] | 4.500 | 4.500 |
| Number of reflections | 55609 | |
| <I/σ(I)> | 5.01 | 1.49 |
| Completeness [%] | 99.9 | |
| Redundancy | 1 | |
| CC(1/2) | 0.990 | 0.940 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 7 | 283 | 100 mM Pipes pH 7.0, 5 mM CaCl2, 10 mM tocopherol, and 10-17% PEG 2000 |
