3MVI
Crystal structure of holo mADA at 1.6 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.670, 93.804, 88.048 |
| Unit cell angles | 90.00, 105.27, 90.00 |
Refinement procedure
| Resolution | 19.660 - 1.600 |
| R-factor | 0.17015 |
| Rwork | 0.168 |
| R-free | 0.20487 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4m |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.295 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (from CCP4) |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.064 | 0.374 |
| Number of reflections | 92164 | |
| <I/σ(I)> | 18.8 | 2.2 |
| Completeness [%] | 95.9 | 79.7 |
| Redundancy | 4.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 100 mM Tris_HCl, pH 8.5 and 25% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
