2BGK
X-Ray structure of apo-Secoisolariciresinol Dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.340, 133.560, 69.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.600 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nff |
RMSD bond length | 0.010 |
RMSD bond angle | 2.700 |
Data reduction software | HKL-2000 |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.040 | 0.240 |
Number of reflections | 93528 | |
<I/σ(I)> | 12.1 | 3.5 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | pH 8.50 |