2J9Y
Tryptophan Synthase Q114N mutant in complex with Compound II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-12 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 182.740, 60.700, 67.410 |
Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
Resolution | 19.450 - 1.800 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.123 |
RMSD bond angle | 1.800 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 |
High resolution limit [Å] | 1.700 | 1.800 |
Rmerge | 0.090 | 0.340 |
Number of reflections | 80056 | |
<I/σ(I)> | 9 | 3.8 |
Completeness [%] | 98.7 | 98.8 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | pH 7.8 |