3N33
Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with pefabloc SC (AEBSF)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-09-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.400, 96.850, 101.300 |
| Unit cell angles | 90.00, 108.38, 90.00 |
Refinement procedure
| Resolution | 48.067 - 1.800 |
| R-factor | 0.1599 |
| Rwork | 0.160 |
| R-free | 0.19070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n2w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.425 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.135 | 0.578 |
| Number of reflections | 144719 | |
| <I/σ(I)> | 12.87 | 3.07 |
| Completeness [%] | 97.6 | 94.7 |
| Redundancy | 3.78 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.5M ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
