3GU5
Crystal structure of DAPKQ23V-AMPPNP-Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Detector technology | CCD |
Collection date | 2008-12-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.919, 62.470, 88.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.620 - 1.650 |
R-factor | 0.17761 |
Rwork | 0.175 |
R-free | 0.21872 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jks |
RMSD bond length | 0.012 |
RMSD bond angle | 1.486 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 32180 | |
<I/σ(I)> | 13.1 | 4.7 |
Completeness [%] | 99.8 | 99.83 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M CH3COOLi, 2.2 Ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |