7F7G
a linear Peptide Inhibitors in complex with GK domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.854, 61.579, 103.851 |
| Unit cell angles | 90.00, 98.29, 90.00 |
Refinement procedure
| Resolution | 35.479 - 2.446 |
| R-factor | 0.2039 |
| Rwork | 0.201 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uat |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.071 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.445 | 2.450 |
| Rmerge | 0.139 | 0.413 |
| Number of reflections | 15628 | 777 |
| <I/σ(I)> | 8.5 | 1.8 |
| Completeness [%] | 93.9 | 96.2 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | (0.02 M Citric acid, 0.08 M BIS-TRIS propane / pH 8.8), 16% w/v Polyethylene glycol 3,350 |
