7L5F

Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2016-07-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	54.699, 55.662, 80.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.290 - 1.510
R-factor	0.1369
Rwork	0.134
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2a7m
RMSD bond length	0.013
RMSD bond angle	1.467
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.510	1.510
Number of reflections	49262	2023
<I/σ(I)>	17.7
Completeness [%]	98.2
Redundancy	5.5
CC(1/2)	0.998	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	160 mM MgCl2-6H20, 80 mM bis-Tris pH 8.5, 24% w/v PEG 4000