3HSZ
Crystal structure of E. coli HPPK(F123A)
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 | 36.150, 52.060, 41.390 |
| Unit cell angles | 90.00, 110.54, 90.00 |
Refinement procedure
| Resolution | 21.960 - 1.400 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.18900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1hka |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.918 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.960 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.049 | 0.566 |
| Number of reflections | 28222 | |
| <I/σ(I)> | 20.047 | 1.9 |
| Completeness [%] | 99.3 | 97.6 |
| Redundancy | 3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 292 | PEG 4000, Sodium acetate, Magnesium chloride, Glycerol, Tris-HCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
