2WTS
Crystal structure of sortase C-1 (SrtC-1) mutant H131D from S. pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.348, 70.523, 87.278 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 1.300 |
| R-factor | 0.15962 |
| Rwork | 0.158 |
| R-free | 0.19533 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.406 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.890 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 99255 | |
| <I/σ(I)> | 17 | 4.19 |
| Completeness [%] | 95.3 | 88.9 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 293 | 100 MM TRIS-HCL PH 8.5, 200 MM MGCL2 HEXAHYDRATE, 30% W/V POLYETHYLENE GLYCOL 4000 AT 20C. |
