7SLT
Protease inhibitors variant, CTI-homolog pacifastin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-28 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 33.914, 67.386, 50.369 |
Unit cell angles | 90.00, 108.98, 90.00 |
Refinement procedure
Resolution | 28.980 - 2.000 |
R-factor | 0.1995 |
Rwork | 0.197 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gl1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.713 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.105 | 0.059 | 0.433 |
Rmeas | 0.113 | 0.064 | 0.512 |
Rpim | 0.043 | 0.025 | 0.264 |
Total number of observations | 46022 | ||
Number of reflections | 7018 | 403 | 152 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 89.9 | 98.8 | 37.5 |
Redundancy | 6.6 | 7.1 | 2.8 |
CC(1/2) | 0.997 | 0.770 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES pH 6.5, 25% (w/v) PEG 8000 |