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 |