4ICQ
Structural basis for substrate recognition and reaction mechanism of bacterial aminopeptidase peps
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER CCD PROTEUM 300 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 126.644, 126.644, 139.027 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.900 - 2.250 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.874 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.310 |
| High resolution limit [Å] | 2.200 | 2.250 |
| Number of reflections | 57898 | |
| <I/σ(I)> | 46.01 | 5.9 |
| Completeness [%] | 99.6 | |
| Redundancy | 14.3 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2M MAGNESIUM SULFATE, PH 4.6, MICROBATCH, TEMPERATURE 295K |
