1IY7
Crystal Structure of CPA and sulfamide-based inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.688, 60.467, 47.256 |
Unit cell angles | 90.00, 82.55, 90.00 |
Refinement procedure
Resolution | 99.000 * - 2.000 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.20800 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 99.000 * |
High resolution limit [Å] | 2.000 |
Rmerge | 0.108 * |
Number of reflections | 19491 |
Completeness [%] | 99.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 7.5 * | 4 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | 1.2 (M) | ||
2 | 1 | 1 | Tris-HCl | 20 (mM) | pH7.5 |
3 | 1 | 2 | 0.2 (M) | ||
4 | 1 | 2 | Tris-HCl | 20 (mM) | pH7.5 |