3WF0
Crystal structure of human beta-galactosidase in complex with 6S-NBI-DGJ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2012-10-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.013, 116.475, 140.449 |
Unit cell angles | 90.00, 92.23, 90.00 |
Refinement procedure
Resolution | 43.410 - 2.200 |
R-factor | 0.18003 |
Rwork | 0.177 |
R-free | 0.22961 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3thc |
RMSD bond length | 0.013 |
RMSD bond angle | 1.612 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.148 | 0.571 |
Number of reflections | 139532 | |
<I/σ(I)> | 9 | 2 |
Completeness [%] | 90.4 | 93.7 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG 3350, Ammonium sulfate, HEPES, pH 7.5, vapor diffusion, sittingdrop, temperature 277K |