5DT7
Crystal structure of the GH1 beta-glucosidase from Exiguobacterium antarcticum B7 in space group C2221
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 | PIXEL |
| Collection date | 2014-12-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.459 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 115.975, 376.119, 109.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| R-factor | 0.189 |
| Rwork | 0.188 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ptv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.360 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 | |
| High resolution limit [Å] | 2.150 | 6.390 | 2.150 |
| Rmerge | 0.086 | 0.044 | 0.756 |
| Rmeas | 0.103 | 0.053 | 0.965 |
| Total number of observations | 776096 | ||
| Number of reflections | 123301 | 9413 | 39185 |
| <I/σ(I)> | 8.19 | 23.97 | 1.17 |
| Completeness [%] | 99.0 | 98.1 | 96 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M CAPS (pH 10.5), 0.2 M lithium sulfate and 2 M ammonium sulfate using in situ proteolysis (1:1000 (w/w) ratio of trypsin:protein |
