3MFA
Computationally designed endo-1,4-beta-xylanase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-02 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 63.881, 63.881, 106.602 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.320 - 1.630 |
| R-factor | 0.15357 |
| Rwork | 0.151 |
| R-free | 0.20122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.274 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.320 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.628 |
| Number of reflections | 27088 | |
| Completeness [%] | 88.9 | 23.57 |
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 |
