5SVB

Mechanism of ATP-Dependent Acetone Carboxylation, Acetone Carboxylase AMP bound structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	89.928, 100.209, 441.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.623 - 2.645
R-factor	0.1993
Rwork	0.198
R-free	0.22690
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.518
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.623	2.700
High resolution limit [Å]	2.645	2.650
Rmerge	0.158	1.107
Number of reflections	115356
<I/σ(I)>	13.2	1.8
Completeness [%]	98.3	97.8
Redundancy	6.5	5.8
CC(1/2)	0.996	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	298	12-18%PEG 3350 and 0.2M MgSO4, pH and cryo was the addition of 15% glycerol