6MVD

Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator

Replaces:  6DTJ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	134.697, 106.377, 117.823
Unit cell angles	90.00, 125.45, 90.00

Refinement procedure

Resolution	28.800 - 3.100
R-factor	0.19508
Rwork	0.193
R-free	0.23932
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5txf
RMSD bond length	0.008
RMSD bond angle	1.331
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.115
Number of reflections	24440	1235
<I/σ(I)>	11.1	1.27
Completeness [%]	98.9	100
Redundancy	4.2	4.2
CC(1/2)		0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.25 M lithium sulfate, 0.1 M Tris pH 8.5, and 16% PEG 3350