3D42
Crystal structure of HePTP in complex with a monophosphorylated Erk2 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.460, 39.035, 83.650 |
| Unit cell angles | 90.00, 124.59, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.460 |
| R-factor | 0.18414 |
| Rwork | 0.181 |
| R-free | 0.24082 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qdm |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.754 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.111 | 0.221 |
| Number of reflections | 10896 | |
| Completeness [%] | 93.9 | 90.6 |
| Redundancy | 2.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 277 | 0.2 M AMMONIUM TARTRATE DIBASIC, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
