7F87
Crystal structure of housekeeping sortase SrtA bound with self derived tripeptide from Lactobacillus rhamnosus GG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.608, 55.674, 75.312 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 73.320 - 1.690 |
| R-factor | 0.18307 |
| Rwork | 0.181 |
| R-free | 0.21368 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fn5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.315 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.320 | 1.865 |
| High resolution limit [Å] | 1.686 | 1.686 |
| Rmerge | 0.103 | 1.151 |
| Rpim | 0.061 | 0.674 |
| Number of reflections | 23044 | 1153 |
| <I/σ(I)> | 9.9 | 1.3 |
| Completeness [%] | 90.0 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.998 | 0.476 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.05 M Citric Bis-Tris Propane, pH 5.0 and 16% (w/v) PEG 3350 |
