7DZE

Fabp ground state captured by XFELs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2020-12-04
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	57.650, 66.700, 69.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 1.550
R-factor	0.1779
Rwork	0.177
R-free	0.19840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lkk
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.610
High resolution limit [Å]	1.550	1.550
Number of reflections	40601	3972
<I/σ(I)>	85	4.3
Completeness [%]	100.0	100
Redundancy	207
CC(1/2)	0.980	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M potassium thiocyanate, pH 7.0, 30% PEG 2000 monomethyl ether