9G14

Human LTC4 synthase in complex with compound 2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	F 2 3
Unit cell lengths	178.557, 178.557, 178.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.230 - 2.240
R-factor	0.2173
Rwork	0.216
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.740
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (26-JUL-2023))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.230	10.050	2.300
High resolution limit [Å]	2.240	10.020	2.240
Rmerge	0.092	0.035	1.268
Rmeas	0.095	0.037	1.306
Number of reflections	22737	270	1692
<I/σ(I)>	22.37
Completeness [%]	99.9
Redundancy	20
CC(1/2)	1.000	1.000	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	10 % PEG8000, LITHIUM SULPHATE 0.5M