3GWZ

Structure of the Mitomycin 7-O-methyltransferase MmcR

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97945,0.96421
Spacegroup name	P 21 21 21
Unit cell lengths	88.372, 98.918, 171.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.653 - 1.910
R-factor	0.176
Rwork	0.174
R-free	0.21000
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.910	4.110	1.910
Rmerge	0.113	0.055	0.570
Number of reflections	115235
<I/σ(I)>	11.545		2.428
Completeness [%]	98.6	100	87.9
Redundancy	13.6	14.6	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein solution (10 mg/ml MmcR Protein, 0.05 M NaCl, 0.02 M Tris pH 8) mixed in a 1:1 ratio with the well solution (10% PEG4K, 15% MPD, 0.1 M CaCl2, 0.1 M MES pH 6.0) Cryoprotected with 25% ethylene glycol, 10% PEG4K, 15% MPD, 0.1 M CaCl2, 0.1 M MES pH 6.0, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP