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 |