1B1Y

SEVENFOLD MUTANT OF BARLEY BETA-AMYLASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	291
Detector technology	AREA DETECTOR
Collection date	1996-04-01
Detector	SIEMENS
Spacegroup name	P 43 21 2
Unit cell lengths	72.110, 72.110, 250.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.187
Rwork	0.187
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1btc
RMSD bond length	0.014
RMSD bond angle	24.770 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.500
Rmerge	0.086 *
Total number of observations	122221 *
Number of reflections	22631
Completeness [%]	94.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	18 *	HUNGING DROP VAPOR DIFFUSION AGAINST 0.1 M PIPES PH 7.1, 0.1 M MGAC2 AND 14% PEG 6000 WITH A PROTEIN CONCENTRATION OF 3 MG/ML., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	drop	PIPES	50 (mM)
3	1	drop	magnesium acetate	0.2 (M)
4	1	drop	PEG6000	7 (%)
5	1	drop	PMSF	1 (mM)
6	1	drop		0.01 (%(w/v))
7	1	reservoir	PIPES	0.1 (M)
8	1	reservoir	magnesium acetate	0.2 (M)
9	1	reservoir	PEG6000	14 (%)