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 |