3FNB
Crystal structure of acylaminoacyl peptidase SMU_737 from Streptococcus mutans UA159
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.832, 56.468, 99.901 |
| Unit cell angles | 90.00, 93.86, 90.00 |
Refinement procedure
| Resolution | 43.617 - 2.118 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22500 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.617 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.124 | 0.620 |
| Number of reflections | 40750 | |
| <I/σ(I)> | 9.4 | 2 |
| Completeness [%] | 93.6 | 70.7 |
| Redundancy | 4.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M di-Ammonium hydrogen citrate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
