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 |