3TEJ
Crystal structure of a domain fragment involved in peptide natural product biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-31 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.400, 90.360, 97.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.22700 |
| Structure solution method | SAD |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.509 |
| Number of reflections | 47257 | |
| <I/σ(I)> | 11.9 | 3.1 |
| Completeness [%] | 96.5 | 94.9 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 293 | 24.5% PEG 6000, 0.1M TRIS-HCL, 70MM MGCL2, PH 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
