5UPO
Crystal structure of BhGH81 mutant in complex with laminaro-pentaose
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 | 65.320, 96.480, 157.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.250 - 1.700 |
R-factor | 0.1397 |
Rwork | 0.139 |
R-free | 0.15830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t49 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.511 |
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] | 82.250 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.085 | 0.335 |
Rpim | 0.034 | 0.174 |
Number of reflections | 108489 | |
<I/σ(I)> | 14.5 | 3.9 |
Completeness [%] | 98.6 | 91.5 |
Redundancy | 7 | 4.7 |
CC(1/2) | 0.997 | 0.895 |
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 |