7CDH
Crystal structure of Betaaspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum-AW-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 143.940, 143.940, 119.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.850 - 2.600 |
| R-factor | 0.1657 |
| Rwork | 0.163 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 10NW |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.680 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.073 | 0.041 | 0.824 |
| Rmeas | 0.074 | 0.043 | 0.841 |
| Rpim | 0.016 | 0.010 | 0.169 |
| Total number of observations | 439332 | ||
| Number of reflections | 19156 | 1028 | 965 |
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 97.7 | 94.7 | 100 |
| Redundancy | 22.9 | 17.5 | 24.6 |
| CC(1/2) | 0.997 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Sodium acetate pH 4.6, 1 M Sodium formate |
