1NBZ
Crystal Structure of HyHEL-63 complexed with HEL mutant K97A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Detector technology | IMAGE PLATE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 90.903, 90.903, 151.184 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.900 - 1.850 |
R-factor | 0.2291 |
Rwork | 0.229 |
R-free | 0.24500 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 * |
RMSD bond angle | 0.022 * |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.900 | |
High resolution limit [Å] | 1.850 | 1.850 * |
Rmerge | 0.054 * | 0.366 * |
Total number of observations | 53340 * | |
Number of reflections | 472861 * | |
Completeness [%] | 97.3 * | 93.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | PEG 4000, AMMONIUM ACETATE, SODIUM ACETATE, pH 4.60, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
3 | 1 | reservoir | ammonium acetate | 0.1 (M) | |
4 | 1 | reservoir | sodium acetate | 0.05 (M) | pH4.6 |