6FH2
Protein arginine kinase McsB in the AMP-PN-bound state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-10 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.873 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.340, 80.620, 97.250 |
Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
Resolution | 47.999 - 2.700 |
R-factor | 0.2348 |
Rwork | 0.232 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m15 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.917 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3126: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 21210 | |
<I/σ(I)> | 15.99 | |
Completeness [%] | 99.8 | |
Redundancy | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277.15 | 25% v/v ethylene glycol, 75 mM MES-imidazole, 58 mM sodium formate, 58 mM ammonium acetate, 58 mM sodium citrate, 58 mM sodium potassium tartrate, 58 mM sodium oxamate. Soaked with 10 mM magnesium AMPPNP, which apparently hydrolysed during the procedure to ADP. |