6M9M

Streptococcus mutans AlkD2 bound to inosine-5'-monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-14
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	60.152, 63.041, 65.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.407 - 1.401
R-factor	0.1375
Rwork	0.136
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x8q
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.049	0.030	0.333
Rmeas	0.051	0.032	0.347
Rpim	0.014	0.009	0.096
Total number of observations	691091
Number of reflections	49016	5091	4823
<I/σ(I)>	14
Completeness [%]	98.5	97	98.8
Redundancy	14.1	13.2	12.8
CC(1/2)		0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	294	18% (w/v) PEG 3350, 200 mM sodium phosphate, pH 4.7