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 |