2F7C
CatM effector binding domain with its effector cis,cis-muconate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97934 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.568, 73.108, 102.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.549 - 2.162 |
| R-factor | 0.185 |
| Rwork | 0.182 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f7b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.159 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.549 | 2.250 |
| High resolution limit [Å] | 2.160 | 2.170 |
| Rmerge | 0.079 | 0.537 |
| Number of reflections | 13349 | |
| <I/σ(I)> | 42.8 | 4.1 |
| Completeness [%] | 97.8 | 82.1 |
| Redundancy | 5.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 288 | PEG 4000, ammonium sulfate, sodium acetate, NaCl, tris, glycerol, imidazole, microbatch under oil, temperature 288K |
