1HC9

alpha-bungarotoxin complexed with high affinity peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Collection date	2000-07-15
Detector	RIGAKU
Spacegroup name	C 2 2 21
Unit cell lengths	42.042, 153.356, 73.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.470 - 1.800
R-factor	0.202
Rwork	0.202
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1NTN 1-66 RESIDUES
RMSD bond length	0.005
RMSD bond angle	25.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.500	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.081 *	0.594 *
Number of reflections	22265 *
<I/σ(I)>	14	2.3
Completeness [%]	99.0	99.1
Redundancy	6.1	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	19 *	40% PEG 3350, 0.1M PIPES BUFFER PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG3350	40 (%)
3	1	reservoir	PIPES	0.1 (M)