3FBT
Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.132, 135.336, 67.140 |
| Unit cell angles | 90.00, 102.14, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.236 |
| Rwork | 0.233 |
| R-free | 0.29900 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.878 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.729 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.083 | 0.407 |
| Total number of observations | 45323 | |
| Number of reflections | 62486 | |
| <I/σ(I)> | 10.9 | 3.1 |
| Completeness [%] | 94.4 | 92.3 |
| Redundancy | 5.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 294 | 100mM Bis-Tris pH 6.0, 31% PEG 3350, 200mM ammonium sulfate, vapor diffusion, temperature 294K |
