3HD2
Crystal structure of E. coli HPPK(Q50A) in complex with MgAMPCPP and pterin
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 | 1999-10-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.480, 52.870, 36.700 |
| Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
| Resolution | 23.959 - 1.100 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1eqm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.039 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.095 | 0.730 |
| Number of reflections | 56452 | |
| <I/σ(I)> | 16.946 | 1.83 |
| Completeness [%] | 93.3 | 88.7 |
| Redundancy | 5.25 | 3.79 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Ammonium acetate, Sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
