3ILL
Crystal structure of E. coli HPPK(D97A)
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 | 2000-03-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.072 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 33.480, 64.330, 74.730 |
| Unit cell angles | 90.00, 100.62, 90.00 |
Refinement procedure
| Resolution | 25.794 - 1.730 |
| R-factor | 0.165 |
| Rwork | 0.162 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hka |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.995 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.081 | 0.585 |
| Number of reflections | 16217 | |
| <I/σ(I)> | 7 | 2 |
| Completeness [%] | 99.2 | 98.2 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 292 | PEG 4000, Sodium acetate, Magnesium chloride, Tris-HCl., pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
