1FH9
CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED LACTAM OXIME INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 87.250, 87.250, 80.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.720 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.21900 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.600 * |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.045 | 0.235 |
| Number of reflections | 33537 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 94.9 | 89.7 |
| Redundancy | 15 | 4 |
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) |
