3CBU
Crystal structure of a putative glutathione s-transferase (reut_a1011) from ralstonia eutropha jmp134 at 2.05 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97879, 0.97935 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 106.840, 106.840, 113.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.683 - 2.050 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.20700 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.525 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.683 | 29.683 | 2.120 |
High resolution limit [Å] | 2.050 | 4.400 | 2.050 |
Rmerge | 0.078 | 0.026 | 0.605 |
Number of reflections | 41838 | 7960 | 7234 |
<I/σ(I)> | 14.28 | 42 | 2.4 |
Completeness [%] | 99.5 | 99.2 | 95.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 11 | 277 | NANODROP, 0.2M Lithium sulfate, 0.79M Sodium dihydrogen phosphate, 0.891M Di-potassium hydrogen phosphate, 0.1M CAPS pH 11.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |