3SBM
Trans-acting transferase from Disorazole synthase in complex with Acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.030, 54.010, 120.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.350 |
R-factor | 0.16162 |
Rwork | 0.161 |
R-free | 0.17427 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rgi |
RMSD bond length | 0.016 |
RMSD bond angle | 1.613 |
Data reduction software | XDS (package) |
Data scaling software | XDS (package) |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.067 | 0.486 |
Number of reflections | 61823 | |
<I/σ(I)> | 2.8 | |
Completeness [%] | 98.6 | 96.9 |
Redundancy | 5.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 30%PEG 3350,200mM ammonium acetate, 100mM Tris. HCl (pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 295K |