3G8V
The rationally designed catalytically inactive mutant Mth0212(D151N)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 65 |
| Unit cell lengths | 60.310, 60.310, 149.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.560 - 2.400 |
| R-factor | 0.22302 |
| Rwork | 0.220 |
| R-free | 0.27996 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fzi |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.425 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.390 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.066 | 0.265 |
| Number of reflections | 12026 | |
| <I/σ(I)> | 15.7 | 4.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | reservoir solution: 15 % (w/v) PEG 3350, 15mM sodium cacodylate pH 6.5, 25mM MnCl2; protein solution: 120mM NaCl, 2mM DTT, 8mM HEPES-NaOH pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
