3B86

Crystal structure of T57S substituted LUSH protein complexed with ethanol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Detector technology	CCD
Detector	NOIR-1
Wavelength(s)	1.38
Spacegroup name	P 43
Unit cell lengths	46.825, 46.825, 111.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.219
Rwork	0.215
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.558
Data reduction software	d*TREK
Data scaling software	d*TREK (9.3L)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.110	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.068	0.396
Total number of observations		5014
Number of reflections	16219
<I/σ(I)>	10	2.8
Completeness [%]	99.9	99.9
Redundancy	3.62	3.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP