4JYQ
DHP-CO crystal structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2012-07-18 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.900, 68.590, 69.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.770 - 1.800 |
R-factor | 0.16137 |
Rwork | 0.159 |
R-free | 0.21245 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.959 |
Data reduction software | Precognition |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.880 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 17491 | |
Completeness [%] | 67.3 | 25.55 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | details 0.2 M Ammonium Sulfate, 29% w/v PEG 8000 , pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |