6IXZ
X-ray structure of sortase C from Clostridium perfringens SM101
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-10-18 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.450, 63.410, 76.530 |
| Unit cell angles | 90.00, 101.39, 90.00 |
Refinement procedure
| Resolution | 19.630 - 1.980 |
| R-factor | 0.23395 |
| Rwork | 0.231 |
| R-free | 0.28344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d7w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.189 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.630 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.075 | 0.336 |
| Number of reflections | 27084 | 1996 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 98.7 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 100mM MMT buffer pH 6.5 (20mM L-malic acid, 40mM MES, 40mM Tris), 25% w/v PEG 1500 |
