5FZU
CRYSTAL STRUCTURE OF N19D POTATO STI-KUNITZ BI-FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP P4322 AND PH 7.2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-17 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 77.140, 77.140, 94.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.889 - 2.430 |
R-factor | 0.2005 |
Rwork | 0.199 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fnw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.224 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.000 | 2.530 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.050 | 0.630 |
Number of reflections | 11223 | |
<I/σ(I)> | 42.13 | 5.21 |
Completeness [%] | 99.9 | 100 |
Redundancy | 16.4 | 16.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | 20 % (W/V) PEG 8000, 0.1 M HEPES PH 7.5, 30 MM GYCYL-GLYCYL-GLYCINE |