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 |
