3OGG

Crystal structure of the receptor binding domain of botulinum neurotoxin D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	60.782, 89.680, 93.929
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.605 - 1.651
R-factor	0.1731
Rwork	0.172
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1epw
RMSD bond length	0.006
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.610
High resolution limit [Å]	1.650
Number of reflections	62236
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	5% (w/v) PEG 4000, 0.2 M NaAC and 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K