6SUM
Amicoumacin kinase hAmiN in complex with AMP-PNP, MG2+ and Ami
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 |
Unit cell lengths | 50.660, 66.000, 70.410 |
Unit cell angles | 112.29, 102.81, 94.79 |
Refinement procedure
Resolution | 12.000 - 1.350 |
R-factor | 0.1461 |
Rwork | 0.144 |
R-free | 0.17620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.535 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.000 | 1.390 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.087 | 1.091 |
Rmeas | 0.094 | 1.050 |
Number of reflections | 177497 | 12337 |
<I/σ(I)> | 11.1 | |
Completeness [%] | 95.6 | 93.7 |
Redundancy | 6.85 | 7.07 |
CC(1/2) | 0.998 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH6.5 0.2 M NaOAc 27-29% (w/v) PEG 2000MME 2 mM amiA 2.2 mM AMP-PNP 20 mM Mg2+ |