8Y1R

in situ room temperature Laue crystallography

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL03HB
Synchrotron site	SSRF
Beamline	BL03HB
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-12-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.6 - 1.58
Spacegroup name	P 43 21 2
Unit cell lengths	78.560, 78.560, 37.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.480 - 2.000
R-factor	0.2068
Rwork	0.201
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2epe
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	LaueView
Data scaling software	LaueView
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.480	2.150
High resolution limit [Å]	2.000	2.000
Rmerge	0.240	0.250
Number of reflections	7617	1284
<I/σ(I)>	8.1	4
Completeness [%]	90.8	84.6
Redundancy	1
CC(1/2)	0.920	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	sodium acetate buffer, pH 4.55, and sodium chloride