3HSJ
Crystal structure of E. coli HPPK(N55A)
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 | 1999-07-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.190, 51.040, 41.550 |
| Unit cell angles | 90.00, 106.52, 90.00 |
Refinement procedure
| Resolution | 15.700 - 1.180 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hka |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.082 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.700 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.053 | 0.661 |
| Number of reflections | 44832 | |
| <I/σ(I)> | 22.37 | 1.7 |
| Completeness [%] | 93.7 | 84.1 |
| Redundancy | 4.4 | 4 |
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 |
