7VIS

Crystal structure of Au(200EQ)-apo-R168H/L169C-rHLFr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	F 4 3 2
Unit cell lengths	182.594, 182.594, 182.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.690 - 1.850
Rwork	0.166
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.013
RMSD bond angle	1.788
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.690	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.070	0.075
Rmeas	0.099	0.106
Rpim	0.070	0.075
Number of reflections	22847	1375
<I/σ(I)>	9.1
Completeness [%]	100.0
Redundancy	1.8	1.9
CC(1/2)	0.856	0.978

Crystallization Conditions

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