8QB1
C-terminal domain of mirolase from Tannerella forsythia
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-08-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97917 |
| Spacegroup name | P 31 |
| Unit cell lengths | 81.445, 81.445, 66.553 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.410 - 1.601 |
| R-factor | 0.2748 |
| Rwork | 0.275 |
| R-free | 0.30160 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXDE |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.410 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.121 | 0.954 |
| Rmeas | 0.127 | 0.999 |
| Number of reflections | 65076 | 10842 |
| <I/σ(I)> | 9 | 11.1 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 11.2 | |
| CC(1/2) | 0.999 | 0.943 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Protein at 19 mg per mL in 5mM Tris-HCl pH 8.0 and 30% polyethylene glycol (PEG) 2000, 0.1 M potassium thiocyanide as reservoir solution. |
