1AC1

DSBA MUTANT H32L

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1996-09
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	117.700, 65.100, 75.900
Unit cell angles	90.00, 126.10, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.176
Rwork	0.176
R-free	0.22000
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1.7 A STRUCTURE OF WILDTYPE OXIDISED DSBA (PDB ENTRY 1FVK)
RMSD bond length	0.007
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.081	0.298
Total number of observations	84044 *
Number of reflections	28490
<I/σ(I)>	13.6	2.36
Completeness [%]	91.5	83
Redundancy	2.9	2.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *	21 *	Martin, J.L., (1993) J.Mol.Biol., 230, 1097. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20-25 (%(w/v))
2	1	reservoir	MPD	1 (%)
3	1	reservoir	cacodylate	0.1 (M)
4	1	drop	MPD	1 (%)
5	1	drop	PEG8000	20-25 (%(w/v))
6	1	drop	cacodylate	0.1 (M)
7	1	drop	DsbA solution		0.002ml