3KUE
Crystal structure of E. coli HPPK(E77A)
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 | 1999-06-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.150, 46.810, 43.360 |
| Unit cell angles | 90.00, 110.55, 90.00 |
Refinement procedure
| Resolution | 19.252 - 1.538 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.21900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1kbr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.208 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.600 |
| High resolution limit [Å] | 1.538 | 1.538 |
| Rmerge | 0.053 | 0.352 |
| Number of reflections | 19896 | |
| <I/σ(I)> | 18 | 3.8 |
| Completeness [%] | 98.1 | 94.7 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | PEG 4000, Sodium acetate, Glycerol, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
