4L4P
the mutant(E139A) structure in complex with xylotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-21 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.303, 80.796, 115.276 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.430 - 1.900 |
| R-factor | 0.21761 |
| Rwork | 0.215 |
| R-free | 0.25825 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.168 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.200 | 0.184 | 0.350 |
| Number of reflections | 31909 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 99.8 | 99.4 | 99.6 |
| Redundancy | 10.6 | 10.2 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 287 | 25% PEG 3350, 0.1M Tris-HCl, pH 8.5, vapor diffusion, hanging drop, temperature 287K |
