1W9P
Specificity and affinity of natural product cyclopentapeptide inhibitors against Aspergillus fumigatus, human and bacterial chitinaseFra
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2003-11-23 |
Detector | MARRESEARCH |
Spacegroup name | P 41 |
Unit cell lengths | 117.407, 117.407, 99.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 1.700 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d2k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.070 | 0.510 |
Number of reflections | 147072 | |
<I/σ(I)> | 11.1 | 2.2 |
Completeness [%] | 99.6 | 97.6 |
Redundancy | 3.1 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9.5 | 1.4 M LI2SO4,0.1 M TRIS PH 9.5 |