3PIC
Glucuronoyl Esterase catalytic domain (Cip2_GE) from Hypocrea jecorina
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-25 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.07189,1.07218 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.260, 82.010, 185.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.200 - 1.900 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.085 | 0.305 |
| Number of reflections | 91361 | |
| <I/σ(I)> | 17 | 4 |
| Completeness [%] | 92.0 | 84 |
| Redundancy | 5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | Quik screen C4 (1.4 M sodium/potassium phosphate, pH 6.9), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
