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 |