7ABB

The truncated structure of the Bottromycin biosynthetic protein SalCYP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9801
Spacegroup name	P 41
Unit cell lengths	96.538, 96.538, 49.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.269 - 1.500
R-factor	0.164302924969
Rwork	0.163
R-free	0.18117
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7aba
RMSD bond length	0.008
RMSD bond angle	0.966
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.260	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.072	0.889
Number of reflections	73906	10737
<I/σ(I)>	15.1
Completeness [%]	100.0
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	PEG8000, Glycerol, Magnesium acetate, Sodium cacodylate