7KP0

CD1a-42:1 SM binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	42.469, 90.918, 107.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.860 - 2.400
R-factor	0.1937
Rwork	0.190
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nux
RMSD bond length	0.007
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.220	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	16921	1749
<I/σ(I)>	13.2	2.2
Completeness [%]	99.9
Redundancy	7.2
CC(1/2)	0.998	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-25% PEG 1500, 0.1M MMT pH 5.5