3HF3
Old Yellow Enzyme from Thermus scotoductus SA-01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-06-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 101.780, 101.880, 180.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.280 - 2.200 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.360 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.282 | 2.530 |
| High resolution limit [Å] | 2.200 | 2.400 |
| Rmerge | 0.353 | |
| Rmeas | 0.146 | |
| Rpim | 0.064 | |
| Total number of observations | 419764 | |
| Number of reflections | 90706 | |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 94.7 | 90.6 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 35% PEG400, 0.1M Tris (HCl), pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
