1W9U
Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2003-11-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 |
| Unit cell lengths | 117.752, 117.752, 99.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.820 - 1.850 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d2k |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.430 |
| Number of reflections | 116077 | |
| <I/σ(I)> | 8 | 2.8 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 1.4 M LI2SO4 0.1 M TRIS PH 9.5 |
