1AU9

SUBTILISIN BPN' MUTANT 8324 IN CITRATE

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	290
Detector technology	AREA DETECTOR
Collection date	1987-07-30
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	41.640, 79.450, 37.260
Unit cell angles	90.00, 114.53, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.151 *
Rwork	0.151
Structure solution method	DIFFERENCE MAP
RMSD bond length	0.020
RMSD bond angle	0.028
Data reduction software	XENGEN
Data scaling software	XENGEN
Refinement software	PROFFT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.860
High resolution limit [Å]	1.720	1.720
Number of reflections	19553
<I/σ(I)>	18.8	2.95
Completeness [%]	84.4	49.9
Redundancy	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	9		Bryan, P.N., (1986) Proteins: Struct.,Funct., Genet., 1, 326. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	acetone	55 (%)