3HT0
Crystal structure of E. coli HPPK(F123A) in complex with MgAMPCPP
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 | 2000-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.180, 52.240, 36.780 |
| Unit cell angles | 90.00, 102.63, 90.00 |
Refinement procedure
| Resolution | 29.900 - 1.400 |
| R-factor | 0.148 |
| Rwork | 0.146 |
| R-free | 0.19900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1eqm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.912 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.900 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.102 | 0.633 |
| Number of reflections | 29249 | |
| <I/σ(I)> | 13.008 | 2 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Sodium acetate, Glycerol, Ammonium acetate, pH 4.6, vapor diffusion, hanging drop, temperature 292K |
