5CB8
Crystal structure of Adenosine-5'-phosphosulfate kinase in complex with APS and sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-12 |
Detector | SBC-3 |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 3 |
Unit cell lengths | 140.756, 140.756, 140.756 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.474 - 1.880 |
R-factor | 0.1561 |
Rwork | 0.155 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cb6 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.038 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX (1.8.1_1168) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 31.500 |
High resolution limit [Å] | 1.880 |
Number of reflections | 37779 |
<I/σ(I)> | 50 |
Completeness [%] | 100.0 |
Redundancy | 21.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 5 mM APS and 10 mM K2SO4 and mixed with 0.1 M CAPS/KOH, pH 10.5, 2 M ammonium sulfate, and 0.2 M LiSO4 |