7MSY

Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora echinospora

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.5497
Spacegroup name	P 43 21 2
Unit cell lengths	53.465, 53.465, 223.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 2.210
R-factor	0.1864
Rwork	0.184
R-free	0.23600
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7ml6
Data reduction software	XDS (0.86)
Data scaling software	XSCALE (VERSION Mar 15, 2019)
Phasing software	PHENIX (1.17.1)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.230	48.230	2.260
High resolution limit [Å]	2.210	9.870	2.210
Rmerge	0.094	0.041	2.658
Rmeas	0.096	0.042	3.127
Total number of observations	350217
Number of reflections	16890	251	928
<I/σ(I)>	19.79	60.6	0.25
Completeness [%]	97.8	99.2	75
Redundancy	20.735	19.936	3.221
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2 M Magnesium formate dihydrate 20% w/v PEG 3,350 pH 7.0;