6BUM

Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica

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	PIXEL
Collection date	2015-12-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	81.440, 88.690, 204.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.993 - 1.510
R-factor	0.1269
Rwork	0.126
R-free	0.14100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nq4
RMSD bond length	0.004
RMSD bond angle	0.764
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13rc2_2975: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.350	1.540
High resolution limit [Å]	1.510	1.510
Rmerge	0.037	0.625
Number of reflections	221630	8020
<I/σ(I)>	20.1	1.2
Completeness [%]	95.8	70.2
Redundancy	3.9	2
CC(1/2)	0.999	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	20%PEG3350, 100mMCaCl2