5UPB

Swit_4259, an Acetoacetate Decarboxylase-like Enzyme from Sphingomonas wittichii RW1

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	2011-11-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32
Unit cell lengths	75.040, 75.040, 179.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.064 - 1.912
R-factor	0.1726
Rwork	0.172
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zbo 4jm3
RMSD bond length	0.011
RMSD bond angle	1.176
Data reduction software	MOSFLM (7.0.7)
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.960	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.106	0.412
Number of reflections	87644	4465
<I/σ(I)>	13.92	1.4
Completeness [%]	100.0	99.8
Redundancy	5.5	2.8
CC(1/2)	0.993	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	12% PEG 10000, 0.1M Tris pH 8.0, 0.3M ammonium acetate