4X3L
Crystal Structure of TTHA0275 from Thermus thermophilus (HB8) in complex with 5'-methylthioadenosine in space group P21212
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 111.170, 115.950, 58.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.112 - 1.700 |
| R-factor | 0.1862 |
| Rwork | 0.185 |
| R-free | 0.20710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ipa |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.951 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.041 | 0.629 |
| Number of reflections | 84050 | |
| <I/σ(I)> | 28.61 | 3.55 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.95 | 7.19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4 | 277 | 100 mM citric acid, and 1M Lithium chloride anyhydrous |
