3GRV
Crystal Structure of the Complex between Adenosine and Methanocaldococcus jannaschi Dim1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.263, 66.018, 61.691 |
| Unit cell angles | 90.00, 108.35, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.900 |
| R-factor | 0.18265 |
| Rwork | 0.180 |
| R-free | 0.23923 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fyd Chain A |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.108 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.010 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.326 |
| Number of reflections | 22955 | |
| <I/σ(I)> | 19.5 | 4.5 |
| Completeness [%] | 94.5 | 96.4 |
| Redundancy | 6.34 | 6.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | PEG 8000 (14-16%), 25 MM MES, 50 MM NH2SO4, 7 MM MGCL2, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
