9WBT
Crystal Structure of Escherichia coli GroEL with Magnesium Ions and a Phosphorylated Serine Residue-3.2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 135.835, 262.165, 284.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 3.200 |
| R-factor | 0.19804 |
| Rwork | 0.196 |
| R-free | 0.23620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.853 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 3.290 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.170 | 0.710 |
| Number of reflections | 167177 | 16363 |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 99.8 | |
| Redundancy | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | Solution contains 3.4 M 1,6-Hexanediol, 0.2 M MgCl2, 2 mM 2-mercaptoethanol, 0.1 M Tris, pH 8.5 |
