6T6Z

Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative

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	PIXEL
Collection date	2017-12-17
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873130
Spacegroup name	I 2 2 2
Unit cell lengths	66.716, 79.530, 89.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.520 - 1.700
R-factor	0.1712
Rwork	0.169
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t6h
RMSD bond length	0.005
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.520	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.104	0.778
Number of reflections	26141	1362
<I/σ(I)>	10.5	2.4
Completeness [%]	99.2	99
Redundancy	5.3	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	MES, ammonium sulfate