4E0U
Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 137.730, 137.730, 170.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.830 - 2.600 |
R-factor | 0.19792 |
Rwork | 0.196 |
R-free | 0.22888 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o2k |
RMSD bond length | 0.011 |
RMSD bond angle | 1.203 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 50027 | |
Completeness [%] | 98.0 | 97.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 10% w/v PEG 4000, 20% v/v glycerol, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, 0.1 M bicine/Trizma base pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |