8B3M
Millisecond cryo-trapping by the spitrobot crystal plunger, CTXM-14 Avibactam complex, SSX, 1 sec
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-19 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.850, 41.850, 232.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 77.620 - 1.970 |
R-factor | 0.2466 |
Rwork | 0.244 |
R-free | 0.28980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gth |
RMSD bond length | 0.003 |
RMSD bond angle | 0.666 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.620 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 18275 | 1175284 |
<I/σ(I)> | 6.37 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 532.7 | 369 |
CC(1/2) | 0.964 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.5 | 293 | 40% PEG8000, 200 mM LiSO4, 100 mM NaOAc, pH 4.5 |