3KUG
Crystal structure of E. coli HPPK(H115A)
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 | 2001-02-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97125 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.100, 47.000, 42.200 |
| Unit cell angles | 90.00, 114.50, 90.00 |
Refinement procedure
| Resolution | 23.500 - 1.996 |
| R-factor | 0.197 |
| Rwork | 0.192 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hka |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.631 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 1.996 | 1.996 |
| Rmerge | 0.094 | 0.339 |
| Number of reflections | 8672 | |
| <I/σ(I)> | 8.4 | 2.5 |
| Completeness [%] | 98.1 | 96.3 |
| Redundancy | 3 | 2.6 |
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 |
