5Z2R
ThDP-Mn2+ complex of R395K variant of EcMenD soaked with 2-ketoglutarate for 5 min
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 90.630, 90.750, 172.370 |
| Unit cell angles | 82.91, 75.71, 64.20 |
Refinement procedure
| Resolution | 38.630 - 2.300 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ej8 |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.460 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.062 | 0.108 |
| Number of reflections | 187417 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 88.0 | 77.1 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.2M Ammonium acetate, 0.1M Tris pH 7.5, 12% w/v Polyethylene glycol 10000, 0.06M Magnesium formate, 3% w/v Polyethylene glycol 3350 |
