8WZR

SFX structure of an Mn-carbonyl complex immobilized in hen egg white lysozyme microcrystals, 100 ns 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	0.194
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.115
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)>	9.55
Completeness [%]	100.0
Redundancy	820.09
CC(1/2)	0.990	0.486

Crystallization Conditions

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