4PTV
Halothermothrix orenii beta-glucosidase A, thiocellobiose complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.753, 99.068, 108.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.530 - 1.850 |
| R-factor | 0.1966 |
| Rwork | 0.196 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ta9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.095 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.534 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 80889 | |
| <I/σ(I)> | 12.4 | 1.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.2 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | sodium cacodylate, CsCl2, PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
