3I8O
A domain of a functionally unknown protein from Methanocaldococcus jannaschii DSM 2661.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 87.988, 87.988, 96.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.116 - 2.638 |
| R-factor | 0.1951 |
| Rwork | 0.192 |
| R-free | 0.25870 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.194 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.120 | 2.710 |
| High resolution limit [Å] | 2.638 | 2.650 |
| Rmerge | 0.098 | 0.893 |
| Number of reflections | 5822 | |
| <I/σ(I)> | 22.1 | 2.36 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.14M CaCl2, 0.07M Sodium Acetate, 14%(v/v) Isopropanol and 30%(v/v)glycerol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
