5N9W
Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, apo structure
Replaces: 5APLExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 177.633, 52.806, 108.861 |
Unit cell angles | 90.00, 105.81, 90.00 |
Refinement procedure
Resolution | 46.955 - 2.456 |
R-factor | 0.2009 |
Rwork | 0.197 |
R-free | 0.26990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vnq |
RMSD bond length | 0.009 |
RMSD bond angle | 1.205 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1647) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.600 |
High resolution limit [Å] | 2.456 | 2.456 |
Rmerge | 0.140 | 0.810 |
Number of reflections | 35853 | |
<I/σ(I)> | 12 | 2.25 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0,2M Magnesium Acetate 0,1M Sodium Cacodylate 20% w/v PEG8000 |