3H3R
Crystal structure of the CERT START domain in complex with HPA-14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2005-02-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.417, 74.717, 77.713 |
| Unit cell angles | 90.00, 102.86, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e3n |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.548 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.087 | 0.452 |
| Number of reflections | 39511 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 92.0 | 66 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | vapor diffusion, temperature 293K |
