6KRX
Crystal Structure of AtPTP1 at 1.7 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.536, 38.970, 75.525 |
| Unit cell angles | 90.00, 110.81, 90.00 |
Refinement procedure
| Resolution | 37.201 - 1.700 |
| Rwork | 0.151 |
| R-free | 0.17430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hnp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.279 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.043 | 0.191 |
| Rmeas | 0.049 | 0.220 |
| Rpim | 0.021 | 0.106 |
| Number of reflections | 34099 | 2732 |
| <I/σ(I)> | 30.4 | 6 |
| Completeness [%] | 96.6 | 78.4 |
| Redundancy | 4.8 | 4 |
| CC(1/2) | 0.994 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M sodium citrate (pH 6.0), 25 ~ 30% polyethylene glycol (PEG) 3350, 0.2 M potassium iodide. |
