1M8R

Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2001-06-14
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	83.270, 83.270, 32.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.900
R-factor	0.193
Rwork	0.193
R-free	0.19900 *
Structure solution method	isomorphous difference Fourier
Starting model (for MR)	1psj
RMSD bond length	0.007
RMSD bond angle	1.310 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.068	0.369
Total number of observations	128952 *
Number of reflections	10454 *
<I/σ(I)>	26.2	5.7
Completeness [%]	99.9	100
Redundancy	7.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	291 *	10%(v/v) 1,4-butyldiol, 0.01M CdCl2, 0.1M Na(CH3)2AsO, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.4	291 *	10%(v/v) 1,4-butyldiol, 0.01M CdCl2, 0.1M Na(CH3)2AsO, pH 7.4, 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	drop	1,4-butyldiol	10 (%(v/v))
3	1	drop		0.01 (M)
4	1	drop		0.1 (M)	pH7.4
5	1	reservoir	1,4-butyldiol	60 (%(v/v))