6VQP

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	2018-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	53.951, 53.951, 218.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.390 - 2.000
R-factor	0.1588
Rwork	0.155
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y1e
Data reduction software	XDS (VERSION Mar 15, 2019)
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.390	48.390	2.120
High resolution limit [Å]	2.000	5.950	2.000
Rmerge	0.106	0.035	0.869
Rmeas	0.111	0.037	0.907
Total number of observations	290624
Number of reflections	23026	1015	3587
<I/σ(I)>	16.03	49.15	2.43
Completeness [%]	99.8	99.8	98.9
Redundancy	12.622	10.987	12.207
CC(1/2)	0.999	0.999	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M Bis-Tris pH 6.5 20% w/v PEG 1500