7VDO

Crystal structure of KRED F147L/L153Q/Y190P variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97913
Spacegroup name	C 1 2 1
Unit cell lengths	127.610, 55.440, 128.950
Unit cell angles	90.00, 103.94, 90.00

Refinement procedure

Resolution	31.902 - 1.856
R-factor	0.159038385072
Rwork	0.158
R-free	0.19811
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rf2
RMSD bond length	0.006
RMSD bond angle	0.951
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.930	1.900
High resolution limit [Å]	1.855	1.855
Rmerge	0.069	0.504
Rmeas	0.075	0.574
Rpim	0.030	0.265
Number of reflections	73460	5113
<I/σ(I)>	15.4	2.7
Completeness [%]	98.8	93.4
Redundancy	6.2	4.4
CC(1/2)	0.998	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M Bis-Tris pH 6.5, 25% (w/v) PEG 3350, 0.2 M MgCl2