5VMA
Structure of B. pumilus GH48 in complex with a cellobio-derived isofagomine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-03 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 98.891, 98.891, 216.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4el8 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.968 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 78718 | |
| <I/σ(I)> | 16.55 | 2.66 |
| Completeness [%] | 99.4 | 95.6 |
| Redundancy | 9.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | screen containing 2-3 M sodium malonate pH 5-7 |
