4W7V
Crystal structure of XacCel5A in complex with cellobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 79.186, 81.756, 48.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 1.430 |
| R-factor | 0.1339 |
| Rwork | 0.132 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gzj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.302 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.170 | 1.520 | |
| High resolution limit [Å] | 1.430 | 4.290 | 1.430 |
| Rmerge | 0.062 | 0.028 | 0.789 |
| Rmeas | 0.071 | 0.032 | 0.934 |
| Total number of observations | 452924 | ||
| Number of reflections | 109499 | 4128 | 16875 |
| <I/σ(I)> | 12.15 | 43.85 | 1.66 |
| Completeness [%] | 98.9 | 99.2 | 94.2 |
| Redundancy | 4.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M sodium cacodylate, 0.2 M sodium acetate, 28% PEG8000, 5% glycerol |
