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 |