7SMU

Crystal Structure of Consomatin-Ro1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-10
Detector	PSI PILATUS 6M
Wavelength(s)	1.77114
Spacegroup name	P 65 2 2
Unit cell lengths	50.282, 50.282, 135.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.619 - 1.950
Rwork	0.236
R-free	0.28160
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	2.245
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.619	36.590	2.000
High resolution limit [Å]	1.950	8.930	1.950
Rmerge	0.227	0.101	7.639
Rmeas	0.228	0.102	7.676
Rpim	0.019	0.009	0.744
Total number of observations		13977	54212
Number of reflections	8016	123	527
<I/σ(I)>	24.3	63.1	1.4
Completeness [%]	99.9	98.8	98.2
Redundancy	140.4	113.6	102.9
CC(1/2)	1.000	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	286	1 micro-liter protein in 100 mM NaCl, 25 mM Tris-Cl pH 7.9, 10% glycerol, 1 mM EDTA, 1 mM TCEP mixed with 1 micro-liter 25% PEG 3350, 100 mM Tris-bis pH 5.5, 100 mM MgCl2 at 13C (286 K)