3WFA
Catalytic role of the calcium ion in GH97 inverting glycoside hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-08-06 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.520, 111.960, 102.360 |
| Unit cell angles | 90.00, 100.49, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.000 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d73 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.147 |
| Number of reflections | 107958 | |
| <I/σ(I)> | 14.9 | 7.8 |
| Completeness [%] | 95.8 | 91.5 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 12% (w/v) polyethylene glycol 6000, 0.1mM imidazole-HCl (pH 7.8), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
