2SQC

SQUALENE-HOPENE CYCLASE FROM ALICYCLOBACILLUS ACIDOCALDARIUS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 43 21 2
Unit cell lengths	118.820, 118.820, 276.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.153 *
Rwork	0.153
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sqc
RMSD bond length	0.012
RMSD bond angle	2.200
Data reduction software	XDS
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.062 *	0.146 *
Total number of observations	523124 *
Number of reflections	120483 *	5694 *
<I/σ(I)>	11.2	4.9
Completeness [%]	90.1	59
Redundancy	4.3	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.8	20 *	pH 4.8

Crystallization Reagents in Literatures

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