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 |