3EO4
The crystal structure of a domain from Methanocaldococcus jannaschii DSM 2661
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.374, 96.871, 83.212 |
| Unit cell angles | 90.00, 126.63, 90.00 |
Refinement procedure
| Resolution | 48.450 - 2.190 |
| R-factor | 0.1976 |
| Rwork | 0.195 |
| R-free | 0.23958 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.523 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.250 |
| High resolution limit [Å] | 2.190 | 2.200 |
| Rmerge | 0.115 | 0.666 |
| Number of reflections | 41356 | |
| <I/σ(I)> | 16.8 | 1.75 |
| Completeness [%] | 98.0 | 93.1 |
| Redundancy | 4.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1M NaAcetate, 0.1M MES, 30%(w/v)PEG2000MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
