4X7U
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg, SAH and mycinamicin III (substrate)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 49.856, 90.850, 128.641 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.710 - 1.650 |
R-factor | 0.14886 |
Rwork | 0.148 |
R-free | 0.16788 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xvy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.280 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 71066 | |
<I/σ(I)> | 12.6 | 2.1 |
Completeness [%] | 99.4 | 99.3 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.1 | 20-30% PEG 5000 MME, 100 mM ammonium acetate, and 100 mM BisTrisPropane pH 6.5 |