5H0K
The crystal structure of WT Pedobacter heparinus SMUG2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 56.714, 56.714, 144.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.643 - 2.250 |
R-factor | 0.2033 |
Rwork | 0.201 |
R-free | 0.24640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.946 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.161 | 0.639 |
Number of reflections | 12005 | |
<I/σ(I)> | 19.7 | 8.5 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 8.6 | 8.7 |
CC(1/2) | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 27% PEG 3350,0.25 M NaCl, 0.1M Tris-HCl pH 8.5/0.1M Hepes pH 8.0 |