1A2A

AGKISTROTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	291
Detector technology	AREA DETECTOR
Collection date	1994-09
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	108.950, 85.227, 71.054
Unit cell angles	90.00, 109.66, 90.00

Refinement procedure

Resolution	6.000 - 2.800
R-factor	0.207
Rwork	0.207
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psj
RMSD bond length	0.008
RMSD bond angle	26.900 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.740
High resolution limit [Å]	2.590 *	2.580
Rmerge	0.064	0.410
Number of reflections	32147
<I/σ(I)>	9.42	1.3
Completeness [%]	84.4 *	26
Redundancy	1.9	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5	18 *	pH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MPD	60 (%)
3	1	drop	ammonium sulfate	0.6 (M)
4	1	drop	octyl-beta-D-glucopyranoside	1 (%)
5	1	drop		0.6 (M)
6	1	drop		0.1 (M)
7	1	reservoir	MPD	60 (%)