7VIQ

Crystal structure of Au(50EQ)-apo-R168H/L169C-rHLFr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-12
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	F 4 3 2
Unit cell lengths	180.734, 180.734, 180.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.946 - 1.900
Rwork	0.169
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1da't
RMSD bond length	0.014
RMSD bond angle	1.876
Data reduction software	CrysalisPro (171.40_64.67a)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.946	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.085	0.577
Rmeas	0.090	0.622
Rpim	0.028	0.230
Number of reflections	20430	1364
<I/σ(I)>	25.1
Completeness [%]	99.7
Redundancy	9.8
CC(1/2)	0.999	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	Ammonium Sulfate, Cadmium Sulfate