5TA9
Crystal structure of BuGH117Bwt in complex with neoagarobiose
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 21 21 21 |
| Unit cell lengths | 83.511, 104.380, 198.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.250 - 2.400 |
| R-factor | 0.2095 |
| Rwork | 0.207 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.304 |
| 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] | 99.250 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.160 | 0.540 |
| Number of reflections | 65697 | |
| <I/σ(I)> | 8.2 | 3.6 |
| Completeness [%] | 96.0 | 90 |
| Redundancy | 8.3 | 8.6 |
| CC(1/2) | 0.989 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1-0.18M LiSo4, 0.1M Tris-HCl, 25-30% PEG 4000 |
