7VIP

Crystal structure of Au(10EQ)-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	2021-02-02
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	F 4 3 2
Unit cell lengths	182.126, 182.126, 182.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.882 - 1.900
Rwork	0.181
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.013
RMSD bond angle	1.825
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.882	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.038	0.145
Rpim	0.013	0.058
Number of reflections	20892	1403
<I/σ(I)>	50.6	12.2
Completeness [%]	99.7	100
Redundancy	9.5
CC(1/2)	1.000	0.988

Crystallization Conditions

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