6ZJD
Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-08 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.524, 62.518, 49.804 |
Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
Resolution | 26.856 - 1.750 |
R-factor | 0.1599 |
Rwork | 0.157 |
R-free | 0.21950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zd8 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.856 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.058 | 0.420 |
Rpim | 0.023 | 0.203 |
Number of reflections | 45601 | 2335 |
<I/σ(I)> | 22.3 | 4.4 |
Completeness [%] | 96.2 | 79.9 |
Redundancy | 7 | 1.9 |
CC(1/2) | 0.999 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | Purified hAK3 was dialyzed against 30 mM MOPS buffer with 50 mM NaCl pH 7.0 and concentrated to 15-20 mg per ml. The resevoir contained 0.2 M MgCl2, 0.1 M Tris pH 8.0 and 20% PEG 6000. Drop size 1 plus 1 microliter. Cryo protection 30% PEG6000 |