1W7Q
Feglymycin P65 crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE M06XCE |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-10 |
Detector | BRUKER-NONIUS |
Spacegroup name | P 65 |
Unit cell lengths | 83.544, 83.544, 35.734 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.350 - 1.100 |
R-factor | 0.1689 |
R-free | 0.19500 |
Structure solution method | DIRECT METHODS |
RMSD bond length | 0.022 |
RMSD bond angle | 0.045 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | SHELXD |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.350 | 1.200 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.040 | 0.450 |
Number of reflections | 57985 | |
<I/σ(I)> | 25.31 | 3.06 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.97 | 4.64 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.4 | 0.1 M TRIS/TRISHCL PH=8.4, 4% PEG8000, pH 8.40 |