3AYV
TTHB071 protein from Thermus thermophilus HB8 soaking with ZnCl2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.282186 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.085, 93.375, 87.379 |
| Unit cell angles | 90.00, 95.86, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.1737 |
| Rwork | 0.172 |
| R-free | 0.20470 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.373 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.055 | 0.253 |
| Number of reflections | 1347990 | |
| <I/σ(I)> | 49.414 | 11.806 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 14.8 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 0.05M Mg Chloride, 30%(v/v) PEG MME 550, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
