1FHD
CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED IMIDAZOLE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-04-01 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 85.343, 85.343, 78.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.21900 |
RMSD bond length | 0.007 |
RMSD bond angle | 22.400 * |
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] | 1.900 | 1.900 |
Rmerge | 0.043 | 0.256 |
Number of reflections | 24224 | |
<I/σ(I)> | 13.6 | |
Completeness [%] | 97.2 | 83.8 |
Redundancy | 20 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 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) |