6MPR

Crystal structure of a malonate decarboxylase, alpha subunit from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-06
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	68.370, 120.320, 75.040
Unit cell angles	90.00, 112.77, 90.00

Refinement procedure

Resolution	45.399 - 1.700
R-factor	0.1611
Rwork	0.159
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vit
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.399	45.399	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.061	0.031	0.593
Rmeas	0.069	0.035	0.668
Number of reflections	119022	1394	8733
<I/σ(I)>	15.2	39.76	2.49
Completeness [%]	96.9	98.1	96.6
Redundancy	4.577	4.478	4.719
CC(1/2)	0.999	0.998	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	20.09 mg/mL AcbaB.17485.a.PW38403 against JCSG+ screen condition A12 (0.2 M potassium nitrate, 20% PEG3350), crystal tracking ID 299425a12, unique puck ID aas7-10