1NF2
X-ray crystal structure of TM0651 from Thermotoga maritima
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.410, 93.880, 98.420 |
| Unit cell angles | 90.00, 127.91, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.200 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.26300 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.360 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.300 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.096 * | 0.353 * |
| Number of reflections | 57785 | 2866 * |
| <I/σ(I)> | 15.3 | 3.2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | AMS, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 108 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH6.8 |
| 3 | 1 | drop | 220 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | drop | ammonium sulfate | 1.0 (M) | |
| 6 | 1 | drop | citric acid | 0.1 (M) | pH5.5 |
| 7 | 1 | reservoir | ammonium sulfate | 1.0 (M) | |
| 8 | 1 | reservoir | citric acid | 0.1 (M) | pH5.5 |
