3LYE

Crystal structure of oxaloacetate acetylhydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 42 21 2
Unit cell lengths	82.736, 82.736, 73.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.900 - 1.300
Rwork	0.131
R-free	0.16600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fa3
RMSD bond length	0.010
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.044	0.345
Number of reflections	58937
<I/σ(I)>	36.2	2.7
Completeness [%]	92.8	50.7
Redundancy	13.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	30% PEG 400, 0.1 M HEPES pH7.5, 0.2M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K