1K9Y

The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-08-08
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.693, 45.075, 71.794
Unit cell angles	90.00, 110.96, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.151 *
Rwork	0.156
R-free	0.20500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgx
RMSD bond length	0.021 *
RMSD bond angle	3.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.949
High resolution limit [Å]	1.900	1.900
Rmerge	0.090 *	0.410 *
Number of reflections	25897
Completeness [%]	99.0 *	97 *
Redundancy	3.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30 % PEG5000 MME, 0.1 M sodium acetate, 5 mM beta-mercaptoethanol, 0.1 M MES (Crystals were soaked in mother liquor containing 1 M magnesium chloride for 1 hour), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium acetate	0.1 (M)
2	1	drop	MES	0.1 (M)
3	1	drop	beta-mercaptoethanol	5 (mM)
4	1	drop	PEG5000 MME	30 (%(w/v))
5	1	drop	protein	0.56 (mM)
6	1	reservoir		1 (M)	or 0.5M CaCl2