6R7D

Crystal structure of LTC4S in complex with AZ13690257

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	121.591, 169.385, 174.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	121.534 - 2.350
Rwork	0.208
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pcv
RMSD bond length	0.024
RMSD bond angle	2.244
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135 2015/10/01)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	170.000	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	150050	7388
<I/σ(I)>	18.1
Completeness [%]	99.2
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	CaCl2, PEG400, Hepes