1A2L

REDUCED DSBA AT 2.7 ANGSTROMS RESOLUTION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1996-12-10
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 2
Unit cell lengths	88.880, 83.360, 58.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.233
Rwork	0.233
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fvk
RMSD bond length	0.004
RMSD bond angle	22.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.118	0.294
Total number of observations	18501 *
Number of reflections	9160 *
<I/σ(I)>	7	2.2
Completeness [%]	73.6	56.1
Redundancy	2	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	5.6		0.2 M AMMONIUM ACETATE, 0.1M SODIUM CITRATE PH 5.6 30% (W/V) PEG 4000 AND 40MM DTT.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	60 (mg/ml)
2	1	2	ammonium acetate	0.2 (M)
3	1	2	sodium citrate	0.1 (M)
4	1	2	PEG4000	30 (%(w/v))
5	1	2	dithiothreitol	40 (mM)