6PO4

2.1 Angstrom Resolution Crystal Structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (mtnN) from Haemophilus influenzae PittII.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	124.536, 214.743, 146.904
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 2.100
R-factor	0.1618
Rwork	0.160
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o4v
RMSD bond length	0.006
RMSD bond angle	1.363
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	0.740
Rmeas	0.089	0.806
Rpim	0.035	0.318
Number of reflections	115902	5754
<I/σ(I)>	19.8	2.7
Completeness [%]	100.0	100
Redundancy	6.2	6.3
CC(1/2)		0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	295	Protein: 14.5 mg/ml, 0.01M Tris pH 8.3; Screen: Classics II (B5), 1.26M Sodium phosphate, 0.14M Potassium phosphate; Cryo: 1:1, reservoir : 50% Sucrose.