6I5S

AH, Bottromycin amidohydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97242
Spacegroup name	C 2 2 21
Unit cell lengths	100.973, 110.726, 84.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.043 - 1.730
R-factor	0.1595
Rwork	0.158
R-free	0.18850
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.093
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.040	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.034	0.693
Number of reflections	48843
<I/σ(I)>	20.12
Completeness [%]	97.8
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.0 - 4.2 M sodium formate
1	VAPOR DIFFUSION, SITTING DROP		293	3.0 - 4.2 M sodium formate