2BJH
Crystal Structure Of S133A AnFaeA-ferulic acid complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.750, 130.750, 76.500 |
| Unit cell angles | 90.00, 98.14, 90.00 |
Refinement procedure
| Resolution | 49.490 - 2.540 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1usw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.580 |
| High resolution limit [Å] | 2.150 | 2.410 |
| Rmerge | 0.200 | 0.500 |
| Number of reflections | 47613 | |
| <I/σ(I)> | 5.9 | 2.3 |
| Completeness [%] | 98.6 | 99.4 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.7 M AMMONIUM SULPHATE, 0.1 M HEPES, PH = 7.5, [FAXX]= 10 MM. |
