8WZT

SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 1 microsecond after photoexcitation 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	2021-11-02
Detector	MPCCD
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	81.700, 81.700, 37.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.690 - 1.600
R-factor	0.1937
Rwork	0.193
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.138
Data reduction software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.690	1.620
High resolution limit [Å]	1.600	1.600
Number of reflections	17528	859
<I/σ(I)>	8.54
Completeness [%]	100.0
Redundancy	745.6
CC(1/2)	0.987	0.536

Crystallization Conditions

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