2DST
Crystal Structure Analysis of TT1977
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-18 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.714, 65.822, 59.320 |
| Unit cell angles | 90.00, 92.61, 90.00 |
Refinement procedure
| Resolution | 31.680 - 2.000 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.24500 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.600 |
| 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] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.151 | |
| Number of reflections | 15276 | |
| <I/σ(I)> | 20.436 | 6.64 |
| Completeness [%] | 93.5 | 80.3 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1M 1,6-Hexanediol, 0.1M Na Acetate (pH 4.6), 0.005M CoCl2, 10% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 1M 1,6-Hexanediol, 0.1M Na Acetate (pH 4.6), 0.005M CoCl2, 10% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
