1YJA

SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 20% DIMETHYLFORMAMIDE

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1994-09-20
Detector	RIGAKU AFC-6R
Spacegroup name	P 1 21 1
Unit cell lengths	41.570, 79.670, 37.220
Unit cell angles	90.00, 114.13, 90.00

Refinement procedure

Resolution	17.000 - 1.800
R-factor	0.215
Rwork	0.215
RMSD bond length	0.010
RMSD bond angle	1.663 *
Data reduction software	TEXSAN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	17.000
High resolution limit [Å]	1.800
Rmerge	0.062
Total number of observations	21228 *
Number of reflections	15425 *
Completeness [%]	100.0
Redundancy	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)
2	1	drop	sodium cacodylate	5 (mM)
3	1	drop	PEG3400	8.5 (%(w/v))
4	1	drop	2-propanol	8.5 (%(v/v))
5	1	drop	sodium citrate	50 (mM)
6	1	reservoir	PEG3400	17 (%(w/v))
7	1	reservoir	2-propanol	17 (%(v/v))
8	1	reservoir	sodium citrate	100 (mM)