1UFR
Crystal Structure of TT1027 from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45PX |
| Synchrotron site | SPring-8 |
| Beamline | BL45PX |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-07-01 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.02 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.310, 114.136, 146.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.580 - 2.600 |
| R-factor | 0.264 |
| Rwork | 0.264 |
| R-free | 0.28700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.073 | 0.464 |
| Number of reflections | 30397 | |
| <I/σ(I)> | 9.3 | 2.73 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | MPD, sodium acetate, calcium chloride, dioxane, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
