4W7U
Crystal structure of XacCel5A in the native form
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 | 79.367, 81.730, 48.232 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.540 - 1.480 |
| R-factor | 0.1461 |
| Rwork | 0.144 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gzj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.425 |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.540 | 1.570 | |
| High resolution limit [Å] | 1.480 | 4.410 | 1.480 |
| Rmerge | 0.094 | 0.048 | |
| Rmeas | 0.111 | 0.056 | 1.190 |
| Total number of observations | 353637 | ||
| Number of reflections | 100540 | 3790 | 15811 |
| <I/σ(I)> | 7.41 | 23.77 | 1.19 |
| Completeness [%] | 99.1 | 99.2 | 96.5 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M sodium cacodylate, 0.2 M sodium acetate, 28% PEG8000, 5% glycerol |
