7M1H

Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979200
Spacegroup name	P 2 21 21
Unit cell lengths	77.590, 93.983, 231.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	115.870 - 2.780
R-factor	0.2184
Rwork	0.217
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v0a
RMSD bond length	0.002
RMSD bond angle	0.462
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (1.14_3260)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.870	2.880
High resolution limit [Å]	2.780	2.780
Rpim	0.082	0.834
Number of reflections	43577	4390
<I/σ(I)>	11.1	1.1
Completeness [%]	99.6
Redundancy	6.7
CC(1/2)	0.996	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	2.4 M sodium malonate, 0.1 M Bis-Tris pH 7.0