3GXO

Structure of the Mitomycin 7-O-methyltransferase MmcR with bound Mitomycin A

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	2008-12-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	87.841, 98.844, 171.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.920 - 2.300
R-factor	0.205
Rwork	0.202
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gwz
RMSD bond length	0.007
RMSD bond angle	1.102
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.092	0.048	0.315
Number of reflections	59548
<I/σ(I)>	11.332		3.861
Completeness [%]	88.8	99.6	70.7
Redundancy	3.9	4.4	3.3

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) Crystals were soaked with 5mM Mitomycin A for 8hrs 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