5GWW

Structure of MoeN5-Sso7d fusion protein in complex with a permethylated substrate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-16
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	C 2 2 2
Unit cell lengths	137.857, 217.331, 104.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.300
Rwork	0.174
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 5B02
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.067	0.447
Number of reflections	68707
<I/σ(I)>	28.9	3.7
Completeness [%]	98.9	96.1
Redundancy	5.4	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	298	protein: 10 mg/mL in 10 mM DTT, 1 mM MgCl2 reservoir: 0.2 M Li3 citrate, 0.3 M NaCl, 25% w/v PEG 3350 cryoprotectant: 5 mM permethylated analogue, 0.3 M Li3 citrate, 0.4 M NaCl, 27% w/v PEG 3350, 5% glycerol