1UF9
Crystal structure of TT1252 from Thermus thermophilus
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-09-26 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9793 |
Spacegroup name | P 32 |
Unit cell lengths | 102.120, 102.120, 65.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 * - 2.800 |
Rwork | 0.222 |
R-free | 0.29970 * |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 21.700 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.093 * | 0.298 * |
Total number of observations | 159215 * | |
Number of reflections | 18914 | |
<I/σ(I)> | 7.5 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | 0.72M sodium citrate, 90mM imidazole, 10% PEG3000, 10mM CHES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | imidazole | 100 (mM) | pH8.0 |
10 | 1 | drop | 100 (mM) | ||
11 | 1 | drop | ATP | 0.2 (mM) | |
12 | 1 | drop | dCoA | 0.2 (mM) | |
13 | 1 | drop | protein | 1000 (nm/ml) | |
2 | 1 | reservoir | CHES | 20 (mM) | pH9.5 |
3 | 1 | reservoir | sodium citrate | 0.8 (M) | |
4 | 1 | reservoir | PEG3000 | 6 (%) | |
5 | 1 | reservoir | 2 (mM) | ||
6 | 1 | reservoir | ATP | 1 (mM) | |
7 | 1 | drop | Tris-HCl | 50 (mM) | pH7.5 |
8 | 1 | drop | magnesium acetatea | 10 (mM) | |
9 | 1 | drop | 20 (mM) |