5D0H
Crystal Structure of triple mutant (KDA to EGY) of an adenylyl cyclase Ma1120 from Mycobacterium avium in complex with ATP and calcium ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-11-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54418 |
Spacegroup name | P 1 |
Unit cell lengths | 36.350, 46.450, 48.690 |
Unit cell angles | 72.02, 82.82, 85.76 |
Refinement procedure
Resolution | 23.542 - 2.100 |
R-factor | 0.2213 |
Rwork | 0.219 |
R-free | 0.25770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wp9 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.040 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.150 | 0.410 |
Number of reflections | 16726 | |
<I/σ(I)> | 4.1 | 2 |
Completeness [%] | 95.4 | 93.3 |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 291 | 0.1M HEPES, 30% (w/v) PEG 1000 |