1L2E
Human Kallikrein 6 (hK6) Active Form with benzamidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-10-24 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.100, 62.080, 85.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.750 |
| R-factor | 0.23 |
| Rwork | 0.209 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a0j |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.350 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.057 | 0.382 |
| Total number of observations | 495027 * | |
| Number of reflections | 21777 | |
| <I/σ(I)> | 43 | 4.9 |
| Completeness [%] | 96.0 | 82.7 |
| Redundancy | 21.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 * | 4 * | 30% (w/v) PEG 4000, 0.2 M magnesium chloride hexahydrate, 0.1 M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 40 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | benzamidine | 20 (mM) | pH4.5 |
| 5 | 1 | reservoir | PEG4000 | 30 (%(w/v)) | |
| 6 | 1 | reservoir | magnesium chloride hexahydrate | 0.2 (M) | |
| 7 | 1 | reservoir | Tris-hydrochloride | 0.1 (M) | pH8.5 |
