4XMD

Crystal structure of nitrophorin 7 from Rhodnius prolixus at pH 7.8

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	2011-07-28
Detector	RAYONIX MX225HE
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	38.312, 66.807, 39.026
Unit cell angles	90.00, 116.87, 90.00

Refinement procedure

Resolution	30.420 - 1.600
R-factor	0.1376
Rwork	0.135
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mvf
RMSD bond length	0.006
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: dev_1565))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.420	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	0.486
Number of reflections	23143
<I/σ(I)>	20.5	3
Completeness [%]	99.4	99.8
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, 0.02 M HEPES pH 6.8, 0.25%(w/v) naphthalene-1,3,6-trisulfonic acid trisodium salt hydrate, 0.25%(w/v) 2,6-naphthalenedisulfonic acid disodium salt, 0.25%(w/v) 4-aminobenzoic acid, 0.25%(w/v) 5-sulfosalicylic acid dehydrate.