7VE7

Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F

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	2020-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97919
Spacegroup name	C 1 2 1
Unit cell lengths	128.310, 55.570, 128.560
Unit cell angles	90.00, 103.89, 90.00

Refinement procedure

Resolution	21.327 - 1.720
R-factor	0.175432672799
Rwork	0.174
R-free	0.20969
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rf2
RMSD bond length	0.005
RMSD bond angle	0.913
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.840	1.760
High resolution limit [Å]	1.720	1.720
Rmerge	0.065	1.018
Rmeas	0.071	1.100
Rpim	0.028	0.413
Number of reflections	93405	6873
<I/σ(I)>	13.9
Completeness [%]	99.7	99.9
Redundancy	6.6	7
CC(1/2)	0.999	0.836

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) PEG3350, 0.2 M MgCl2