9SMC

Acoustofluidic Serial Crystallography - Off, no acoustic focusing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	295
Detector technology	PIXEL
Collection date	2024-04-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	79.400, 79.400, 38.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.144 - 1.960
Rwork	0.179
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.243
Data reduction software	CrystFEL (0.11.1-230-g5a9217bf)
Data scaling software	CrystFEL (0.11.1-230-g5a9217bf)
Phasing software	PHENIX (1.21.2-5419)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.440	1.980
High resolution limit [Å]	1.960	1.960
Number of reflections	9231	611
<I/σ(I)>	4.82	0.69
Completeness [%]	100.0
Redundancy	201.69
CC(1/2)	0.986	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		288	140 mg/ml lysozyme in 100 mM acetate buffer, pH 3.5. 1 ml of protein solution mixed with 3 ml crystallization buffer (1.2 M NaCl, 15% (w/V) PEG4000, 100 mM acetate buffer pH 3.5) at 288 K followed by rapid mixing and incubation at 288 K.