8CW3
20us Temperature-Jump (Dark2) XFEL structure of Lysozyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL3 |
| Synchrotron site | SACLA |
| Beamline | BL3 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2017-11-29 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.443, 79.443, 38.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.090 - 1.570 |
| R-factor | 0.1453 |
| Rwork | 0.144 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iee |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.989 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cxi.merge |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.090 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 2202111 | 55792 |
| <I/σ(I)> | 10.58 | |
| Completeness [%] | 100.0 | |
| Redundancy | 125.11 | |
| CC(1/2) | 0.991 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 3 | 291 | Lysozyme [20 mg/ml dissolved in 0.1 M sodium acetate at pH 3.0] mixed with precipitant [28% (w/v) NaCl, 8% (w/v) PEG6000 and 0.1 M sodium acetate at pH 3.0] in a 1:1 ratio |
