7KP1

CD1a-42:2 SM binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	42.148, 90.139, 105.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.070 - 2.020
R-factor	0.1886
Rwork	0.187
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nux
RMSD bond length	0.005
RMSD bond angle	0.829
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]	45.070	2.070
High resolution limit [Å]	2.020	2.020
Number of reflections	27297	1965
<I/σ(I)>	9.5	2
Completeness [%]	100.0	100
Redundancy	13.5
CC(1/2)	0.998	0.755

Crystallization Conditions

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