1BJJ

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

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-06
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	87.750, 105.800, 110.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.194
Rwork	0.194
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a2a
RMSD bond length	0.007
RMSD bond angle	25.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.169 *
Total number of observations	71221 *
Number of reflections	24339
<I/σ(I)>	6.1
Completeness [%]	93.9	92.7
Redundancy	2.8	2.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.5	291 *	pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop		0.12 (M)
3	1	drop	Tris-HCl	0.02 (M)
4	1	reservoir	MPD	60 (%)