3A46
Crystal structure of MvNei1/THF complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.513, 121.462, 80.510 |
| Unit cell angles | 90.00, 95.50, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.200 |
| Rwork | 0.213 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a45 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.242 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.652 |
| Number of reflections | 38069 | |
| <I/σ(I)> | 14.6 | 2.2 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 285 | PEG3350, 100mM bis-Tris, pH6.0-6.3, 150mM magnesium nitrate, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG3350 | ||
| 2 | 1 | 1 | bis-Tris | ||
| 3 | 1 | 1 | magnesium nitrate | ||
| 4 | 1 | 1 | HOH | ||
| 5 | 1 | 2 | PEG3350 | ||
| 6 | 1 | 2 | bis-Tris | ||
| 7 | 1 | 2 | magnesium nitrate | ||
| 8 | 1 | 2 | HOH |
