7CF6
Crystal structure of Beta-aspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum AW-1 in complex with beta-Asp-Leu dipeptide
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 | 2017-12-11 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98461 |
| Spacegroup name | P 2 21 2 |
| Unit cell lengths | 78.609, 150.425, 151.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.750 |
| R-factor | 0.2002 |
| Rwork | 0.196 |
| R-free | 0.27830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cdh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.613 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.310 | 0.089 | 1.552 |
| Rmeas | 0.327 | 0.094 | 1.674 |
| Rpim | 0.100 | 0.029 | 0.613 |
| Total number of observations | 466994 | ||
| Number of reflections | 46521 | 2530 | 2303 |
| <I/σ(I)> | 2.5 | ||
| Completeness [%] | 99.7 | 99.3 | 99.4 |
| Redundancy | 10 | 9.7 | 6.9 |
| CC(1/2) | 0.997 | 0.368 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2% Tacismate pH 5.0, 0.1 M Sodium citrate pH 5.6, 16 % w/v Polyethylene glycol 3,350 |
