5VKR
Horse liver alcohol dehydrogenase complexed with adenosine-5-diphosphoribose
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 | 2001-03-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0093 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.370, 74.270, 180.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.19233 |
| Rwork | 0.190 |
| R-free | 0.24775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8adh |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.066 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.117 | 0.507 |
| Number of reflections | 30816 | 2947 |
| <I/σ(I)> | 9 | 2.1 |
| Completeness [%] | 91.7 | 84.8 |
| Redundancy | 7.64 | 5.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 8.4 | 278 | 10 mg/ml protein in dialysis bag dialyzed against 50 mM Tris-HCl, pH 8.4 as the concentration of 2-methyl-2,4-pentanediol was raised to 25 %. A crystal was soaked with 2 mM adenosine-5-diphosphoribose in the final outer dialysate for 1 hr. Crystal flash vitrified by plunging it into liquid N2. |
