4GHF
Structure of Y257F variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-Nitrocatechol and dioxygen at 1.67 Ang resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-05-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 110.519, 150.318, 96.105 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.040 - 1.670 |
R-factor | 0.15236 |
Rwork | 0.151 |
R-free | 0.18052 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ojt |
RMSD bond length | 0.015 |
RMSD bond angle | 1.616 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC (5.6.0117) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.110 | 1.760 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.035 | 0.427 |
Number of reflections | 184533 | |
<I/σ(I)> | 13.5 | 2 |
Completeness [%] | 99.6 | |
Redundancy | 4.7 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 13% PEG6000, 0.1M calcium chloride, 0.1M Tris-HCl. Cryoprotectant 25% PEG400. Ligand soaking: 2mM 4-nitrocatechol under aerobic conditions for 1hr prior to cryo-cooling in liquid nitrogen. , pH pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |