6CWJ

Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97922
Spacegroup name	P 21 21 21
Unit cell lengths	79.140, 88.840, 190.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.255 - 2.253
R-factor	0.1879
Rwork	0.186
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bum
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_3082)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.300	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.142	1.220
Number of reflections	137972
<I/σ(I)>	10.6
Completeness [%]	99.5	96.4
Redundancy	6.3	5.7
CC(1/2)		0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	Tascimate, pH5.0. PEG3350