5DV0
Structure of S. pneumoniae D39 sortase A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 117.578, 117.578, 101.924 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.508 - 3.299 |
| R-factor | 0.2413 |
| Rwork | 0.240 |
| R-free | 0.27670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o8l |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.788 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.045 | 0.730 |
| Number of reflections | 5602 | |
| <I/σ(I)> | 48.9 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.9 | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | (NH4)2SO4, Bis-Tris |
