6FHP
DAIP in complex with a C-terminal fragment of thermolysin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-26 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.541870 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.070, 90.050, 69.070 |
Unit cell angles | 90.00, 99.04, 90.00 |
Refinement procedure
Resolution | 31.148 - 1.703 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fzp |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.148 | 31.148 | 1.800 |
High resolution limit [Å] | 1.700 | 10.000 | 1.700 |
Rmerge | 0.035 | 0.015 | 0.446 |
Rmeas | 0.043 | 0.017 | 0.631 |
Total number of observations | 229037 | ||
Number of reflections | 82461 | 421 | 11847 |
<I/σ(I)> | 17.95 | 63.17 | 1.81 |
Completeness [%] | 96.9 | 93.8 | 89 |
Redundancy | 2.778 | 3.211 | 1.684 |
CC(1/2) | 0.999 | 1.000 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 117 mM ammonium sulfate, 83.3 mM sodium acetate pH 5.6 and 25.3 % (w/v) PEG 1500 |