3GU7
Crystal structure of DAPKQ23V-ADP-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 | 46.861, 62.365, 88.262 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.560 - 1.900 |
| R-factor | 0.17289 |
| Rwork | 0.170 |
| R-free | 0.22764 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jks |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.683 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 21031 | |
| <I/σ(I)> | 10.5 | 4.7 |
| Completeness [%] | 99.9 | 99.48 |
| Redundancy | 6.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M NaI, 2.2M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
