4X3M
Crystal Structure of TTHA0275 from Thermus thermophilus (HB8) in complex with Adenosine in space group P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.624, 55.290, 159.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.858 - 1.851 |
| R-factor | 0.1744 |
| Rwork | 0.172 |
| R-free | 0.21690 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.811 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.960 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.079 | 0.651 |
| Number of reflections | 39741 | |
| <I/σ(I)> | 10.94 | 1.76 |
| Completeness [%] | 83.2 | 84.2 |
| Redundancy | 3.98 | 2.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 277 | 100 mM Tris-HCl, and 3.5 M Ammonium chloride |
