3KUH
Crystal structure of E. coli HPPK(H115A) in complex with AMPCPP and HP
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 | 2000-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.05517 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.720, 38.340, 57.900 |
| Unit cell angles | 90.00, 116.90, 90.00 |
Refinement procedure
| Resolution | 27.120 - 1.350 |
| R-factor | 0.13 |
| Rwork | 0.128 |
| R-free | 0.17600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1q0n |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.089 | 0.545 |
| Number of reflections | 31767 | |
| <I/σ(I)> | 15 | 2.2 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Sodium acetate, Ammonium acetate, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
