3NDV
Crystal structure of the N-terminal beta-aminopeptidase BapA in complex with ampicillin
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 | 2009-02-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.900, 96.400, 101.500 |
| Unit cell angles | 90.00, 108.40, 90.00 |
Refinement procedure
| Resolution | 48.835 - 1.700 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n2w |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.104 |
| 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] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.160 | 0.670 |
| Number of reflections | 172088 | |
| <I/σ(I)> | 9.23 | 2.2 |
| Completeness [%] | 98.7 | 94.4 |
| Redundancy | 3.31 | 2.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 15mg/ml protein, 1.5M ammonium sulfate, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
