6GTH
Serial Femtosecond Crystallography at Megahertz pulse rates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
Synchrotron site | European XFEL |
Beamline | SPB/SFX |
Temperature [K] | 290 |
Detector technology | PIXEL |
Collection date | 2018-04-01 |
Detector | AGIPD |
Wavelength(s) | 1.33 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.840, 41.840, 233.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.603 - 1.690 |
R-factor | 0.1785 |
Rwork | 0.176 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5twd |
RMSD bond length | 0.008 |
RMSD bond angle | 1.223 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL (0.6.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.603 | 1.750 |
High resolution limit [Å] | 1.690 | 1.690 |
Number of reflections | 27838 | |
<I/σ(I)> | 4.37 | |
Completeness [%] | 99.9 | |
Redundancy | 65.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | CTX-M-14 microcrystals for SFX were produced using a seeding approach. Crystals were grown by sitting drop vapor diffusion at 290 overnight mixing 1 microliter CTX-M-14 at 20 mg ml-1 and 1 microliter precipitant (40 % PEG8000, 200 mM lithium sulfate, 100 mM sodium acetate). Obtained crystals (space group P212121) were crushed and a seed stock was prepared. To obtain microcrystals the undiluted seedstock was used for batch crystallization setups by mixing volumes of 50 % CTX-M-14 with 10 % undiluted seed stock and 40 % precipitant solution. |