3BIJ
Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97900 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 121.718, 121.718, 219.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.500 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.26700 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.074 | 0.442 |
| Number of reflections | 54406 | |
| <I/σ(I)> | 42.49 | 4.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.8 | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | Protein solution: 10 mM Tris-HCl pH 7.5, 100 mM NaCl, 5 mM DTT. Reservoir solution: 100 mM Hepes pH 7.5, 1.45 M Na3 Citrate, 20 microgram/mL subtilisin, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
