3B7A

Complex of S52A Substituted Droposphila LUSH protein 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
Collection date	2004-07-15
Detector	NOIR-1
Wavelength(s)	1.12
Spacegroup name	P 43
Unit cell lengths	46.873, 46.873, 111.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.202
Rwork	0.198
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ooh
RMSD bond length	0.009
RMSD bond angle	1.074
Data reduction software	d*TREK
Data scaling software	d*TREK (9.2LDz)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.760	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.462
Number of reflections	25896
<I/σ(I)>	8.4	2.3
Completeness [%]	98.9	99.8
Redundancy	3.35	2.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	295	25% PEG 4000, 100mM Sodium Acetate, 3:1 protein/well solution, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K