3LUY
Putative chorismate mutase from Bifidobacterium adolescentis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.954, 59.198, 63.172 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.700 - 2.000 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.22500 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.658 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.822 |
| Number of reflections | 25950 | |
| <I/σ(I)> | 10.4 | 2.09 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 0.2 M potassium chloride, 0.05 M HEPES buffer, 35% pentaerythritol propoxylate (5/4 PO/OH), pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
