6DHJ

Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	102.905, 164.563, 202.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	127.803 - 3.200
R-factor	0.2099
Rwork	0.208
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cwj
RMSD bond length	0.005
RMSD bond angle	0.965
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	164.560	3.290
High resolution limit [Å]	3.200	3.200
Rmerge	0.109
Number of reflections	56567	4674
<I/σ(I)>	10.3	0.7
Completeness [%]	98.6	99.7
Redundancy	4.8	4.9
CC(1/2)		0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M tri-ammonium citrate, 20 %w/v PEG3350