1KT9

Crystal Structure of C. elegans Ap4A Hydrolase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	C 2 2 21
Unit cell lengths	62.794, 72.934, 61.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 * - 2.000 *
R-factor	0.201 *
Rwork	0.196
R-free	0.21800 *
Structure solution method	MAD
RMSD bond length	0.012 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.063 *	0.238 *
Total number of observations	53439 *
Number of reflections	9864
Completeness [%]	97.9 *	99.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6	293	PEG 4000, ammonium acetate, sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	AppCH2ppA	10 (mM)
2	1	drop		10 (mM)
3	1	reservoir	PEG4000	30 (%(w/v))
4	1	reservoir		0.2 (M)
5	1	reservoir	Tris-HCl		pH8.5