2PG8
Crystal structure of R254K mutanat of DpgC with bound substrate analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 139.054, 155.309, 169.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
Rwork | 0.331 |
R-free | 0.36700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2np9 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.158 | 0.749 |
Number of reflections | 73630 | |
<I/σ(I)> | 7.4 | |
Completeness [%] | 99.6 | 99.3 |
Redundancy | 9.8 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 15% PEG 4000, 0.1M sodium citrate, 0.15M ammonium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |