2HIQ
Crystal structure of JW1657 from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.960, 84.960, 95.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.960 - 2.000 |
| R-factor | 0.249 |
| Rwork | 0.249 |
| R-free | 0.27000 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SCA2STRUCTURE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.476 |
| Number of reflections | 27533 | |
| <I/σ(I)> | 17.9 | 7.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.6 | 298 | 100 mM Sodium Cacodylate, 2.5 M Ammonium Sulfate, pH 6.6, VAPOR DIFFUSION, temperature 298K |
