5TA5
Crystal structure of BuGH86wt 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 | 2015-07-04 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.741, 73.601, 83.390 |
| Unit cell angles | 85.84, 86.19, 71.82 |
Refinement procedure
| Resolution | 83.080 - 1.650 |
| R-factor | 0.1456 |
| Rwork | 0.144 |
| R-free | 0.16860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.448 |
| 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] | 83.080 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.066 | 0.141 |
| Number of reflections | 159705 | |
| <I/σ(I)> | 14.3 | 7.8 |
| Completeness [%] | 97.1 | 94.8 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.996 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.2M ammonium sulfate, 0.1M Bis-Tris, 21% PEG 3350 |
