4HX3

Crystal structure of Streptomyces caespitosus sermetstatin in complex with S. caespitosus snapalysin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	116.540, 121.810, 130.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.490 - 2.700
R-factor	0.1957
Rwork	0.195
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kuh 4hwx
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	89.100
High resolution limit [Å]	2.700
Rmerge	0.091
Number of reflections	51602
<I/σ(I)>	14.7
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES, 0.2 M magnesium chloride, 15.0% (v/v) ethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K