6LCK
TtGalA, alpha-galactosidase from Thermus thermophilus in complex with p-nitrophenyl alpha-D-galactopyranoside (alpha-NPG)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9762 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.631, 205.288, 163.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.060 - 2.850 |
R-factor | 0.1757 |
Rwork | 0.174 |
R-free | 0.22240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo structure |
RMSD bond length | 0.009 |
RMSD bond angle | 1.058 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.100 | 0.505 |
Number of reflections | 46936 | 4617 |
<I/σ(I)> | 19.9 | |
Completeness [%] | 99.9 | |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.1M CAPSO pH 9.2, 0.2M Li2SO4, 10% PEG 3000 |