3IP0
Crystal structure of E. coli HPPK in complex with MgAMPCPP and 6-hydroxymethylpterin/6-carboxypterin
Replaces: 3H4AReplaces: 1F9YExperimental 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 | 1999-10-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00928 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.470, 37.910, 57.850 |
| Unit cell angles | 90.00, 117.18, 90.00 |
Refinement procedure
| Resolution | 23.202 - 0.890 |
| R-factor | 0.128 |
| Rwork | 0.128 |
| R-free | 0.12800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1q0n |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.153 |
| 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 | 0.920 |
| High resolution limit [Å] | 0.890 | 0.890 |
| Rmerge | 0.043 | 0.581 |
| Number of reflections | 100866 | |
| <I/σ(I)> | 14.5 | 1.73 |
| Completeness [%] | 93.1 | 75.6 |
| Redundancy | 4.44 | 2.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Ammonium acetate, Sodium acetate, Glycerol., pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
