1SQC

SQUALENE-HOPENE-CYCLASE FROM ALICYCLOBACILLUS ACIDOCALDARIUS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1995-05
Detector	SIEMENS
Spacegroup name	P 3 2 1
Unit cell lengths	140.700, 140.700, 81.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.850
R-factor	0.167
Rwork	0.167
R-free	0.24300
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	21.400 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.056 *	0.360 *
Total number of observations	53288 *
Number of reflections	18914
<I/σ(I)>	11.9	2
Completeness [%]	86.0	49
Redundancy	2.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8		HANGING DROP CONTAINING: 8 MG/ML PROTEIN, 0.3% N-OCTYLTETRAOXYETHYLENE IN 50 MM SODIUM CITRATE, PH 4.8 WITH A RESERVOIR SOLUTION CONTAINING 100 MM SODIUM CITRATE, PH 4.8., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	C8E4(n-octyl-tetraoxyethylene)	0.3 (%(w/v))
3	1	drop	sodium citrate	50 (mM)
4	1	reservoir	sodium citrate	100 (mM)