7RGT

The crystal structure of RocC, containing FinO domain, 1-126

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.03319
Spacegroup name	C 1 2 1
Unit cell lengths	139.010, 100.303, 110.718
Unit cell angles	90.00, 107.57, 90.00

Refinement procedure

Resolution	45.300 - 2.020
R-factor	0.1938
Rwork	0.193
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RocC(24-126)
RMSD bond length	0.005
RMSD bond angle	0.708
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	2.020	2.020
Number of reflections	94465	4477
<I/σ(I)>	17.4
Completeness [%]	99.7	95.6
Redundancy	6.2	4.7
CC(1/2)	0.989	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	289.15	0.2M Ammonium Sulfate, 0.1M HEPES:NaOH, pH 7.3, 20% PEG 3350 with various additives