4XMH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-20
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	38.374, 66.929, 38.885
Unit cell angles	90.00, 116.79, 90.00

Refinement procedure

Resolution	34.710 - 1.290
R-factor	0.1559
Rwork	0.154
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mvf
RMSD bond length	0.006
RMSD bond angle	1.067
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]	34.710	1.370
High resolution limit [Å]	1.290	1.290
Rmerge	0.024	0.290
Number of reflections	41095
<I/σ(I)>	21.4	2.3
Completeness [%]	92.8	64.7
Redundancy	3.1

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.