5TA0
Crystal structure of BuGH86E322Q in complex with neoagarooctaose
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 | 2015-03-18 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9840 |
Spacegroup name | P 1 |
Unit cell lengths | 60.719, 73.540, 83.190 |
Unit cell angles | 85.87, 86.20, 71.87 |
Refinement procedure
Resolution | 82.880 - 1.400 |
R-factor | 0.1433 |
Rwork | 0.142 |
R-free | 0.16230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.488 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.900 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.070 | 0.324 |
Number of reflections | 256936 | |
<I/σ(I)> | 15.7 | 5.4 |
Completeness [%] | 95.7 | 93.4 |
Redundancy | 6.6 | 6.6 |
CC(1/2) | 0.998 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | 0.16M CaOAc, 0.1M Na cacodylate, 17.5% PEG 8000, 5% glycerol |