6AMH
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser bound as E(Aex1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.756, 109.600, 160.882 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.630 |
R-factor | 0.20782 |
Rwork | 0.207 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dw0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.154 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rpim | 0.035 | 1.191 |
Number of reflections | 186378 | 9142 |
<I/σ(I)> | 12.2 | 0.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.7 | 6.8 |
CC(1/2) | 0.999 | 0.327 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 298 | 15-25% PEG3350 and 0.1 M Na HEPES pH 7.85 |