4XMF

Crystal structure of nitrophorin 7 from Rhodnius prolixus at pH 7.8 complexed with histamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-26
Detector	RAYONIX MX225HE
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	38.338, 66.722, 38.825
Unit cell angles	90.00, 116.87, 90.00

Refinement procedure

Resolution	30.740 - 1.600
R-factor	0.1609
Rwork	0.158
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mvf
RMSD bond length	0.007
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 2011_08_24_1020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.740	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.067	0.780
Number of reflections	22417
<I/σ(I)>	15.3	1.9
Completeness [%]	96.9	95.5
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25%(w/v) PEG 3350, 0.1 M bis-Tris propane pH 7.8, 0.25%(w/v) Gly-Gly, 0.25%(w/v) Gly-Gly-Gly, 0.25%(w/v) Gly- Gly-Gly-Gly, 0.25%(w/v) pentaglycine, 0.02 M HEPES sodium pH 6.8.