3NE8
The crystal structure of a domain from N-acetylmuramoyl-l-alanine amidase of Bartonella henselae str. Houston-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.185, 53.511, 58.495 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 29.247 - 1.239 |
| R-factor | 0.1613 |
| Rwork | 0.161 |
| R-free | 0.17430 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.985 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.070 | 0.554 |
| Number of reflections | 61785 | |
| <I/σ(I)> | 28.2 | 1.52 |
| Completeness [%] | 99.3 | 90.7 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M Bis-Tris propane, 1.8M sodium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
