1KY9

Crystal Structure of DegP (HtrA)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9500, 0.9795, 0.9797
Spacegroup name	P 63 2 2
Unit cell lengths	121.374, 121.374, 233.667
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.218 *
Rwork	0.218
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.083 *	0.469 *
Number of reflections	48312
<I/σ(I)>		2.3
Completeness [%]	97.0	92.2
Redundancy	4.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	18 *	Isopropanol, PEG 2000 MME, Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	isopropanol	10 (%)
2	1	reservoir	PEG2000 MME	10 (%)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.5