6T6H

Apo structure of the Bottromycin epimerase BotH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97794
Spacegroup name	I 2 2 2
Unit cell lengths	66.683, 80.133, 88.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.260 - 1.180
R-factor	0.1574
Rwork	0.157
R-free	0.16800
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.139
Data reduction software	xia2
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.260	1.200
High resolution limit [Å]	1.170	1.170
Rmerge	0.035	0.634
Number of reflections	77123	5273
<I/σ(I)>	21.4	2.5
Completeness [%]	98.7	93.5
Redundancy	6.4

Crystallization Conditions

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