1BT8

P.SHERMANII SOD(FE+3) PH 10.0

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1998-05
Detector	SIEMENS
Spacegroup name	C 2 2 21
Unit cell lengths	78.689, 87.293, 110.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.500 - 1.850
R-factor	0.174 *
Rwork	0.176
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ar5
RMSD bond length	0.004
RMSD bond angle	21.200 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.200	1.910
High resolution limit [Å]	1.850	1.850
Rmerge	0.059 *	0.147 *
Number of reflections	22966 *
<I/σ(I)>	15.4	5.1
Completeness [%]	71.0 *	57.2
Redundancy	2.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.1 *	4 *	pH 10.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	50 (mg/ml)
2	1	drop	ammonium sulfate	2.15 (M)
3	1	reservoir	potassium phosphate	50 (mM)
4	1	reservoir	ammonium sulfate