3HSD
Crystal structure of E. coli HPPK(Y53A)
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 | 2000-02-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.040, 47.470, 72.530 |
| Unit cell angles | 90.00, 108.89, 90.00 |
Refinement procedure
| Resolution | 20.608 - 1.652 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g4c |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.011 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.310 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.067 | 0.437 |
| Number of reflections | 32113 | |
| <I/σ(I)> | 13.623 | 2 |
| Completeness [%] | 98.6 | 99.8 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | PEG 4000, Sodium acetate, Magnesium chloride, Glycerol, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
