3H8G
Bestatin complex structure of leucine aminopeptidase from Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9340 |
| Spacegroup name | P 1 |
| Unit cell lengths | 95.976, 95.989, 95.998 |
| Unit cell angles | 100.82, 107.78, 93.23 |
Refinement procedure
| Resolution | 38.630 - 1.500 |
| R-factor | 0.15054 |
| Rwork | 0.149 |
| R-free | 0.17345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.523 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0022) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.659 | 1.690 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.061 | 0.143 |
| Number of reflections | 484972 | |
| <I/σ(I)> | 6.445 | 5 |
| Completeness [%] | 95.6 | 94.6 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | 0.2 M D,L Malic acid, 22.5% PEG3350 , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
