5EQN
Structure of phosphonate hydroxylase
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 | 2015-05-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.880, 95.090, 138.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.202 - 2.300 |
R-factor | 0.2197 |
Rwork | 0.219 |
R-free | 0.24120 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.940 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.203 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.073 | |
Number of reflections | 32101 | |
<I/σ(I)> | 8.03 | |
Completeness [%] | 99.1 | |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 289.15 | 0.1 M Bis-Tris pH6.5, 0.2 M NaCl , 25%(w/v) PEG 3350 |