6P78

queuine lyase from Clostridium spiroforme bound to SAM and queuine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-18
Detector	MAR CCD 165 mm
Wavelength(s)	1.3776
Spacegroup name	P 43 21 2
Unit cell lengths	57.606, 57.606, 152.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.803 - 1.726
R-factor	0.1676
Rwork	0.165
R-free	0.19960
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	AutoSol (1.14-3260)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.890	53.890	1.780
High resolution limit [Å]	1.690	5.350	1.690
Rmerge	0.115	0.066	1.638
Rmeas	0.117	0.068	1.669
Rpim	0.023	0.014	0.316
Total number of observations	814983	24572	116971
Number of reflections	29732	1093	4236
<I/σ(I)>	19.4	48.2	2.7
Completeness [%]	100.0	99.2	100
Redundancy	27.4	22.5	27.6
CC(1/2)	0.999	0.998	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	295	0.1 M CHES, pH 9.5, 30% polyethylene glycol 3,000