7VIT

Crystal structure of Au(400EQ)-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	180.889, 180.889, 180.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.957 - 1.900
Rwork	0.183
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.010
RMSD bond angle	1.678
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]	12.957	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.142	0.651
Rmeas	0.149	0.698
Rpim	0.046	0.249
Number of reflections	20431	1364
<I/σ(I)>	17.7	3.2
Completeness [%]	99.7	100
Redundancy	10.2
CC(1/2)	0.996	0.874

Crystallization Conditions

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