8Z4U

SFX structure of CraCRY 66 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	2021-01-26
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	50.840, 65.580, 153.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.590 - 2.000
R-factor	0.1955
Rwork	0.195
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fn3
RMSD bond length	0.003
RMSD bond angle	0.601
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]	33.100	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	57384	2825
<I/σ(I)>	5.8	1.23
Completeness [%]	99.9
Redundancy	328
CC(1/2)	0.988	0.520

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