3MF6
Computationally designed endo-1,4-beta-xylanase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.885, 63.885, 107.815 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.300 - 1.280 |
| R-factor | 0.12948 |
| Rwork | 0.129 |
| R-free | 0.14485 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.235 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.300 | 1.317 |
| High resolution limit [Å] | 1.280 | 1.284 |
| Number of reflections | 62177 | |
| Completeness [%] | 99.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10mg.mL protein conc., 0.1 M NaCl, 1.125 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 3% Jeffamine M600 pH 7.0 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
