9X86

Crystal Structure of dehydratase ApmL in Amipurimycin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03845
Spacegroup name	P 61 2 2
Unit cell lengths	103.840, 103.840, 130.922
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.530 - 3.500
R-factor	0.2661
Rwork	0.263
R-free	0.32270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.483
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.130	3.830
High resolution limit [Å]	3.500	3.500
Number of reflections	5698	1319
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	17.4
CC(1/2)	0.997	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2M Sodium formate,0.1M Sodium acetate pH 5.0