5HWL
Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2015-12-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.970, 48.890, 90.990 |
| Unit cell angles | 90.00, 93.38, 90.00 |
Refinement procedure
| Resolution | 45.551 - 1.600 |
| R-factor | 0.1792 |
| Rwork | 0.178 |
| R-free | 0.20550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xw5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.064 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.890 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.410 | |
| Number of reflections | 414184 | |
| <I/σ(I)> | 12.8 | 4.2 |
| Completeness [%] | 98.9 | 99.4 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.02 M Magnesium Chloride, 0.1M HEPES,pH 6.8, polyacrylic acid sodium salt 5100 |
