3DF9
Crystal structure of E. coli MTA/SAH nucleosidase in complex with BnT-DADMeImmA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.611, 69.748, 127.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.890 - 1.950 |
| R-factor | 0.17715 |
| Rwork | 0.175 |
| R-free | 0.20802 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y6q |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.308 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.930 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.078 | 0.300 |
| Number of reflections | 33372 | |
| <I/σ(I)> | 24.6 | 9.8 |
| Completeness [%] | 96.8 | 95.3 |
| Redundancy | 15.9 | 15.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 35 % (v/v) 2-propanol, 50 mM sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
