3E7W
Crystal structure of DLTA: Implications for the reaction mechanism of non-ribosomal peptide synthetase (NRPS) adenylation domains
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 180 |
Detector technology | CCD |
Collection date | 2004-04-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9123 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 90.564, 94.990, 132.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 2.280 |
Rwork | 0.205 |
R-free | 0.25600 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.400 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.061 | 0.284 |
Number of reflections | 25439 | 3362 |
<I/σ(I)> | 13.92 | 3.9 |
Completeness [%] | 96.2 | 90.4 |
Redundancy | 2.89 | 2.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1M sodium citrate, 0.2M ammonium acetate, 20% PEG 4000, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |