1IDP

Crystal structure of scytalone dehydratase F162A mutant in the unligated state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	37
Detector technology	CCD
Collection date	2000-12-16
Detector	MARRESEARCH
Wavelength(s)	0.7100
Spacegroup name	P 1 21 1
Unit cell lengths	72.640, 61.310, 72.620
Unit cell angles	90.00, 120.02, 90.00

Refinement procedure

Resolution	8.000 - 1.450
Rwork	0.199
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2std
RMSD bond length	0.009
RMSD bond angle	1.818 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.043	0.297
Total number of observations	365877 *
Number of reflections	98206 *
<I/σ(I)>	23.8	4.2
Completeness [%]	99.7 *	100
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG4000, sodium acetate, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG4000, sodium acetate, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG4000	30 (%(w/v))
3	1	reservoir	sodium acetate	0.2 (M)
4	1	reservoir	Tris	0.1 (M)	pH8.0