8WZV

SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation with 40 microJoules laser intensity at RT.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2022-10-25
Detector	MPCCD
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	80.800, 80.800, 37.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.570 - 1.600
R-factor	0.1902
Rwork	0.190
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.643
Data reduction software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.490	1.620
High resolution limit [Å]	1.600	1.600
Number of reflections	17017	842
<I/σ(I)>	8.2
Completeness [%]	100.0
Redundancy	482.71
CC(1/2)	0.987	0.391

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	293	0.1M Acetate buffer (pH3.0), 28% NaCl, 8% PEG 6000