5MFU
PA3825-EAL Mn-pGpG Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.8785 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.780, 64.780, 135.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.660 - 2.150 |
| R-factor | 0.2051 |
| Rwork | 0.202 |
| R-free | 0.26120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y9m |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.713 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 27.160 |
| High resolution limit [Å] | 2.150 |
| Number of reflections | 16288 |
| <I/σ(I)> | 6.6 |
| Completeness [%] | 98.8 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 277 | 6-11% isopropanol, 0.1 M MES pH 6.5, 0.1 M sodium acetate pH 4.5 and 0.2 M MnCl2 |
