3B87

Complex of T57A Substituted Droposphila LUSH protein with Butanol

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
Collection date	2005-11-15
Detector	NOIR-1
Wavelength(s)	1.28
Spacegroup name	P 21 21 21
Unit cell lengths	42.662, 45.702, 114.523
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.191
Rwork	0.187
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.171
Data reduction software	d*TREK
Data scaling software	d*TREK (9.6LDz)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.127	0.479
Total number of observations		11933
Number of reflections	18369
<I/σ(I)>	8	3.1
Completeness [%]	100.0	100
Redundancy	6.79	6.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1