3FZN
Intermediate analogue in benzoylformate decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.510, 93.344, 94.525 |
| Unit cell angles | 63.46, 72.82, 73.21 |
Refinement procedure
| Resolution | 19.960 - 1.620 |
| R-factor | 0.17167 |
| Rwork | 0.170 |
| R-free | 0.20309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mcz |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.481 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.620 |
| Rmerge | 0.107 | 0.390 |
| Number of reflections | 243335 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 93.2 | 92.3 |
| Redundancy | 1.83 | 1.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 291 | 25% PEG 2000 w/v, 0.2M MgCl2 , pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
