7VIR

Crystal structure of Au(100EQ)-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	2021-02-07
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.540562
Spacegroup name	F 4 3 2
Unit cell lengths	180.213, 180.213, 180.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.909 - 1.900
Rwork	0.170
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.012
RMSD bond angle	1.775
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]	12.910	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.091	0.557
Rmeas	0.096	0.606
Rpim	0.030	0.237
Number of reflections	20252	1322
<I/σ(I)>	21.5	3.2
Completeness [%]	99.7	100
Redundancy	9.5
CC(1/2)	0.998	0.877

Crystallization Conditions

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