3GU6
Crystal structure of DAPKQ23V-ADP
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 | 2008-08-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.870, 62.271, 88.114 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.365 - 1.490 |
R-factor | 0.18466 |
Rwork | 0.183 |
R-free | 0.21262 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jks |
RMSD bond length | 0.009 |
RMSD bond angle | 1.305 |
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 | 1.550 |
High resolution limit [Å] | 1.490 | 1.490 |
Number of reflections | 42344 | |
<I/σ(I)> | 11.5 | 3.8 |
Completeness [%] | 99.4 | 94.3 |
Redundancy | 7.3 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.1 M Tris, 1.8 M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |