4IFK

Arginines 51 and 239* from a Neighboring Subunit are Essential for Catalysis in a Zinc-dependent Decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.80
Spacegroup name	C 1 2 1
Unit cell lengths	153.848, 49.062, 110.545
Unit cell angles	90.00, 127.10, 90.00

Refinement procedure

Resolution	22.919 - 2.012
R-factor	0.2115
Rwork	0.209
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hbv
RMSD bond length	0.008
RMSD bond angle	1.149
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.107	0.054	0.478
Number of reflections	42861
<I/σ(I)>	11.6
Completeness [%]	97.6	96.7	87.6
Redundancy	5.9	6	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.75	291	0.1 M Tris pH 8.75, 0.2 M MgCl2, 17% PEG5000, VAPOR DIFFUSION, HANGING DROP, temperature 291K