4GET

Crystal structure of biogenic amine binding protein from Rhodnius prolixus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	68.727, 72.331, 79.491
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	32.919 - 2.240
R-factor	0.188
Rwork	0.185
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.919
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.330
High resolution limit [Å]	2.240	4.850	2.240
Rmerge	0.081	0.052	0.363
Number of reflections	37060
<I/σ(I)>	9.1
Completeness [%]	99.2	99.8	94.1
Redundancy	5.6	5.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	298	28-30% PEG 6000, 0.1 M Tris, pH 8.2, VAPOR DIFFUSION, temperature 298K