2FNO
Crystal structure of a glutathione s-transferase (atu5508) from agrobacterium tumefaciens str. c58 at 2.00 A resolution
Replaces: 1ZGMExperimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-22 |
| Detector | SBC |
| Wavelength(s) | 0.979127, 0.964062, 0.979291 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.204, 50.261, 117.660 |
| Unit cell angles | 90.00, 115.72, 90.00 |
Refinement procedure
| Resolution | 44.550 - 2.000 |
| R-factor | 0.18306 |
| Rwork | 0.181 |
| R-free | 0.21900 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.514 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.600 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.196 |
| Number of reflections | 37755 | |
| <I/σ(I)> | 18.9 | 5.1 |
| Completeness [%] | 95.0 | 78.1 |
| Redundancy | 3.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 277 | 18.00% PEG 3350, 0.2M Potassium Thiocyanate, 10.00% Glycerol, additive - 0.01M spermine tetra-HCL, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |
