6I1R

Crystal structure of CMP bound CST in an outward facing conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	89.379, 181.009, 53.081
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.830 - 2.800
R-factor	0.2401
Rwork	0.239
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i20
RMSD bond length	0.004
RMSD bond angle	0.846
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	45.787	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.040	1.944
Rmeas	0.201	0.045	2.094
Rpim	0.076	0.020	0.773
Number of reflections	20716	668	3021
<I/σ(I)>	7.2	32	0.8
Completeness [%]	100.0	99.5	100
Redundancy	7	6.8	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	293	400 mM Ammonium sulfate, 100 mM Lithium sulfate, 100 mM NaCl, 100 mM Sodium citrate, 30% PEG 300, tert butanol and 1.2 mM CMP