1TW3
Crystal structure of Carminomycin-4-O-methyltransferase (DnrK) in complex with S-adenosyl-L-homocystein (SAH) and 4-methoxy-e-rhodomycin T (M-ET)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.09 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 210.690, 53.134, 83.070 |
Unit cell angles | 90.00, 105.03, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.350 |
R-factor | 0.19593 |
Rwork | 0.193 |
R-free | 0.24384 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | RdmB+SAM+DbrA complex |
RMSD bond length | 0.011 |
RMSD bond angle | 1.423 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.411 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 41714 | |
<I/σ(I)> | 13.9 | 5.5 |
Completeness [%] | 94.8 | 89.8 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | ammonium sulphate, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |