8ZA8

SFX structure of CraCRY in the fully reduced state

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	2018-10-25
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	50.320, 64.920, 151.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.740 - 2.100
R-factor	0.1468
Rwork	0.145
R-free	0.17220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fn3
RMSD bond length	0.010
RMSD bond angle	0.782
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]	41.920	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	34439	1678
<I/σ(I)>	9.119	1.11
Completeness [%]	99.9	99.94
Redundancy	307	33
CC(1/2)	0.995	0.441

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