1FQ8
X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.5 |
Synchrotron site | SRS |
Beamline | PX9.5 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.820, 86.820, 110.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.400 - 2.800 |
R-factor | 0.19 |
R-free | 0.27000 |
RMSD bond length | 0.015 * |
RMSD bond angle | 0.044 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((AGROVATA) |
Phasing software | AMoRE |
Refinement software | RESTRAIN |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.400 | |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.060 | 0.265 * |
Total number of observations | 58457 * | |
Number of reflections | 12107 * | |
Completeness [%] | 98.7 * | 91.5 * |
Redundancy | 4.9 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5.5 | 298 | PEG 6000, Sodium Acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG6000 | 10-25 (%(w/v)) | |
2 | 1 | reservoir | sodium acetate | 0.01 (M) | pH5.5 |
3 | 1 | drop | protein | 10 (mg/ml) |