3SQC

SQUALENE-HOPENE CYCLASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 32 2 1
Unit cell lengths	140.960, 140.960, 243.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.209
Rwork	0.209
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sqc
RMSD bond length	0.007
RMSD bond angle	21.200 *
Data reduction software	XDS
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	57421
<I/σ(I)>	5.9	4.1
Completeness [%]	83.0	44
Redundancy	3.9	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.8		Wendt, K.U., (1997) Protein Sci., 6, 722. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	C8E4	0.6 (%(w/v))
3	1	reservoir	sodium citrate	0.1 (M)