3ILI
Crystal structure of E. coli HPPK(D95A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00188 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.210, 52.250, 41.510 |
| Unit cell angles | 90.00, 110.77, 90.00 |
Refinement procedure
| Resolution | 26.122 - 1.450 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.19900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hka |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.966 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.046 | 0.481 |
| Number of reflections | 25298 | |
| <I/σ(I)> | 11.8 | 2.5 |
| Completeness [%] | 98.1 | 96.2 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 292 | PEG 4000, Sodium acetate, Magnesium chloride, Tris-HCl, Imidazole., pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
