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 |