2Z1K
Crystal Structure of Ttha1563 from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.144, 95.897, 140.598 |
| Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
| Resolution | 46.660 - 2.300 |
| R-factor | 0.185 |
| Rwork | 0.185 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j0h |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.076 | 0.380 |
| Number of reflections | 79591 | |
| <I/σ(I)> | 28.1 | 5.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.3M NH4H2PO4, 20% PEG 3350, 40% ETHANOL, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
