5T7A
Crystal structure of Br derivative BhCBM56
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91966 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.271, 54.258, 57.820 |
| Unit cell angles | 90.00, 130.86, 90.00 |
Refinement procedure
| Resolution | 43.730 - 1.600 |
| R-factor | 0.1481 |
| Rwork | 0.146 |
| R-free | 0.17720 |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.851 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.730 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.059 | 0.595 |
| Number of reflections | 23416 | |
| <I/σ(I)> | 36.4 | 4.4 |
| Completeness [%] | 99.1 | 99.5 |
| Redundancy | 13.7 | 13.6 |
| CC(1/2) | 1.000 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 21% PEG 3350, 0.1M BisTris/HCl |
