2BJH
Crystal Structure Of S133A AnFaeA-ferulic acid complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-14 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.750, 130.750, 76.500 |
Unit cell angles | 90.00, 98.14, 90.00 |
Refinement procedure
Resolution | 49.490 - 2.540 |
R-factor | 0.216 |
Rwork | 0.216 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1usw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 2.580 |
High resolution limit [Å] | 2.150 | 2.410 |
Rmerge | 0.200 | 0.500 |
Number of reflections | 47613 | |
<I/σ(I)> | 5.9 | 2.3 |
Completeness [%] | 98.6 | 99.4 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.7 M AMMONIUM SULPHATE, 0.1 M HEPES, PH = 7.5, [FAXX]= 10 MM. |