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 |