4AM1
Crystal structure of the marine crustacean decapod shrimp (Litopenaeus vannamei) arginine kinase in the absence of substrate or ligands.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-12 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.720, 70.390, 81.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.095 - 1.250 |
R-factor | 0.1607 |
Rwork | 0.158 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A THEORETICAL MOLECULAR MODEL OF THE SHRIMP AMINO ACID SEQUENCE GENBANK ABI98020.1 BUILT WITH MOE CHEMCOMP AS A STARTING MODEL |
RMSD bond length | 0.012 |
RMSD bond angle | 1.339 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.280 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.050 | 0.540 |
Number of reflections | 91314 | |
<I/σ(I)> | 22.25 | 3.96 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.16 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 0.2 M SODIUM ACETATE, 0.1 M SODIUM CACODYLATE PH 6.5 AND 30% PEG 8000 |