2OPA
YwhB binary complex with 2-Fluoro-p-hydroxycinnamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 108 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | I 4 3 2 |
Unit cell lengths | 141.339, 141.339, 141.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.700 - 2.400 |
Rwork | 0.217 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2op8 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.700 | 2.520 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.082 | 0.610 |
Number of reflections | 9731 | |
<I/σ(I)> | 8.1 | 1.3 |
Completeness [%] | 1.0 | 100 |
Redundancy | 13.6 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 5 uL of YwhB protein (25 mg/ml) in 50 mM HEPES, pH 7.3, was mixed with 5 uL of 50% MPD in 0.2M (NH4)H2PO4, pH 6.5, and allowed to equilibrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |