3E7X
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 | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2005-04-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91438 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.765, 91.389, 121.471 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.600 |
| Rwork | 0.179 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 3E7W |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.680 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.047 | 0.218 |
| Number of reflections | 15976 | 1390 |
| <I/σ(I)> | 19.49 | 5.3 |
| Completeness [%] | 97.5 | 98.9 |
| Redundancy | 3.01 | 2.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30% PEG 1000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
