1FH8
CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED ISOFAGOMINE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-06-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.310, 85.310, 79.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.22400 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 22.200 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.075 | 0.311 |
| Number of reflections | 20562 | |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 93.9 | 85.6 |
| Redundancy | 20 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | Bedarkar, S., (1992) J.Mol. Biol, 228, 693. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Cex | 65 (mg/ml) | |
| 2 | 1 | drop | PEG4000 | 7.5-10 (%) | |
| 3 | 1 | drop | sodium acetate | 0.1 (M) | |
| 4 | 1 | reservoir | PEG4000 | 7.5-10 (%) | |
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) |
