6LN3
Crystal structure of adenylate kinase from an extremophilic archaeon Aeropyrum pernix with ATP and AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 193.440, 193.440, 193.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.700 - 2.000 |
R-factor | 0.1612 |
Rwork | 0.160 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kht |
RMSD bond length | 0.015 |
RMSD bond angle | 1.959 |
Data reduction software | HKL-2000 (1.98.5) |
Data scaling software | HKL-2000 (1.98.5) |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.068 | 0.306 |
Number of reflections | 20843 | 1679 |
<I/σ(I)> | 79.6 | 11.4 |
Completeness [%] | 96.9 | 80.5 |
Redundancy | 37.8 | 25.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.6 | 293 | 0.2 M Ammonium sulfate, 0.1 M HEPES pH 7.6, 25% (w/v) Polyethylene glycol monomethyl ether 2000, 5 mM adenosine 5'-triphosphate, 5 mM magnesium ions |