1NAT

CRYSTAL STRUCTURE OF SPOOF FROM BACILLUS SUBTILIS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	300
Detector technology	AREA DETECTOR
Collection date	1991-09
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 42 21 2
Unit cell lengths	58.500, 58.500, 85.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.450
R-factor	0.176 *
Rwork	0.181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	13
RMSD bond length	0.017
RMSD bond angle	1.800
Data reduction software	UCSD
Data scaling software	SCAL1 ((UCSD))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.450	2.450
Rmerge	0.057	0.153
Total number of observations	24763 *
Number of reflections	5449 *
<I/σ(I)>	19.8	4.2
Completeness [%]	92.7	79.8
Redundancy	4.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.8	4 *	pH 7.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG4500	25 (%)
3	1	reservoir	ethanol	15 (%)
4	1	reservoir	sodium potassium phosphate	100 (mM)	pH7.8