5H7E
Crystal Structure of native drCPDase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2016-06-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 2 |
Unit cell lengths | 91.220, 91.220, 169.830 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.408 - 1.600 |
R-factor | 0.1758 |
Rwork | 0.175 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4qak |
RMSD bond length | 0.015 |
RMSD bond angle | 1.780 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.640 | |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.049 | 0.031 | 0.850 |
Number of reflections | 34981 | ||
<I/σ(I)> | 19.24 | 41.63 | 2.15 |
Completeness [%] | 96.8 | 64.6 | 97.1 |
Redundancy | 5.5 | ||
CC(1/2) | 0.999 | 0.997 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | Citric Acid, Ammonium Sulfate |