1KFG
The X-ray Crystal Structure of Cel9G from Clostridium cellulolyticum complexed with a Thio-Oligosaccharide Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-03-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.040, 57.730, 86.630 |
| Unit cell angles | 93.86, 100.83, 99.54 |
Refinement procedure
| Resolution | 50.000 * - 1.900 |
| R-factor | 0.1671 |
| Rwork | 0.167 |
| R-free | 0.20400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1g87 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 23.100 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.048 * | 0.199 * |
| Number of reflections | 270109 * | |
| <I/σ(I)> | 18.2 | 4.8 |
| Completeness [%] | 88.7 * | 87.4 * |
| Redundancy | 2.6 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 17 * | Peg 4000, Tris, MgAcO, Isopropanol, Glycerol, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 25 (%) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.4 |
| 3 | 1 | reservoir | magnesium acetate | 100 (mM) | |
| 4 | 1 | reservoir | isopropanol | 5 (%) | |
| 5 | 1 | reservoir | glycerol | 15 (%) | |
| 6 | 1 | drop | protein | 6.25 (mg/ml) |
