5UPM
Crystal structure of BhGH81 mutant in complex with laminaro-triose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-09 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97971 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.520, 93.680, 159.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.770 - 1.700 |
R-factor | 0.1473 |
Rwork | 0.146 |
R-free | 0.16680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t49 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.358 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.770 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.249 | |
Rpim | 0.141 | |
Number of reflections | 107049 | |
<I/σ(I)> | 5.3 | |
Completeness [%] | 91 | |
Redundancy | 3.9 | |
CC(1/2) | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 15% PEG 10000, 0.2 M ammonium acetate, 0.1 M bis-tris |