2GK1
X-ray crystal structure of NGT-bound HexA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1271 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 322.246, 109.796, 132.764 |
| Unit cell angles | 90.00, 91.48, 90.00 |
Refinement procedure
| Resolution | 29.990 - 3.250 |
| R-factor | 0.27658 |
| Rwork | 0.274 |
| R-free | 0.32188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.093 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 3.370 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.065 | 0.475 |
| Number of reflections | 71535 | |
| <I/σ(I)> | 10.9 | 8.7 |
| Completeness [%] | 97.8 | |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 295 | 13 % PEG 8000, 0.1M Na Acetate, 0.2M thiocyanate, 5mM NGT, pH 5.5, VAPOR DIFFUSION, temperature 295K |
