1SUE

SUBTILISIN BPN' FROM BACILLUS AMYLOLIQUEFACIENS, MUTANT

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	1997-06
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	45.590, 58.090, 86.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.000 - 1.800
R-factor	0.17
Rwork	0.170
Structure solution method	MR
Starting model (for MR)	REFINED SAME MUTANT IN OTHER CRYSTAL FORM
RMSD bond length	0.020
RMSD bond angle	24.800 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.110
Number of reflections	19675
<I/σ(I)>	5	2
Completeness [%]	88.0	60
Redundancy	2	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	24 *	22% PEG 4K, 100 MM SODIUM ACETATE PH 4.6, 100 MM AMMONIUM SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	reservoir	PEG4000	20-24 (%)
4	1	reservoir	sodium acetate	100 (mM)
5	1	reservoir	salt	0-500 (mM)