8PYO

5 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESC
Synchrotron site	SwissFEL ARAMIS
Beamline	ESC
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-09-01
Detector	PSI JUNGFRAU 8M
Wavelength(s)	1.09
Spacegroup name	P 43 21 2
Unit cell lengths	79.200, 79.200, 38.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.050 - 1.540
R-factor	0.1741
Rwork	0.171
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.878
Data reduction software	CrystFEL (0.10.1)
Data scaling software	CrystFEL (0.10.1)
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.526	1.562
High resolution limit [Å]	1.514	1.514
Number of reflections	37154	3279
<I/σ(I)>	5.67	0.39
Completeness [%]	100.0
Redundancy	354
CC(1/2)	0.943	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	293	50mg/ml hewl, 22.4% (w/v) NaCl, 6.4% (w/v) PEG 6000, 0.1 M NaAc pH 3.0