2QE6
CRYSTAL STRUCTURE OF A PUTATIVE METHYLTRANSFERASE (TFU_2867) FROM THERMOBIFIDA FUSCA YX AT 1.95 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837, 0.97917, 0.97894 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 102.627, 76.024, 81.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.386 - 1.950 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21300 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.707 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.386 | 29.386 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.081 | 0.038 | 0.575 |
| Total number of observations | 1860 | 12026 | |
| Number of reflections | 47006 | ||
| <I/σ(I)> | 7.2 | 13.6 | 1.3 |
| Completeness [%] | 99.8 | 96.8 | 99.4 |
| Redundancy | 3.6 | 3.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | NANODROP, 70.0% MPD, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
