8Z6K

SFX structure of CraCRY 166 ms after photoexcitation of the oxidized protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	293
Detector technology	CCD
Collection date	2021-11-05
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	50.740, 65.450, 152.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.090 - 2.200
R-factor	0.2081
Rwork	0.208
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fn3
RMSD bond length	0.007
RMSD bond angle	1.044
Data reduction software	CrystFEL
Data scaling software	pointless
Phasing software	REFMAC
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.020	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	48171	2360
<I/σ(I)>	8.69	1.09
Completeness [%]	99.8	100
Redundancy	1231	132
CC(1/2)	0.999	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.6	277	0.1 M MES, pH 5.6 (w/v) PEG 4000