6I10
CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-21 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54056 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.667, 91.839, 97.062 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.530 - 2.100 |
R-factor | 0.2519 |
Rwork | 0.250 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p53 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.768 |
Data reduction software | d*TREK (9.7 W8RSSI) |
Data scaling software | d*TREK (9.7 W8RSSI) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.530 | 48.530 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.101 | 0.047 | 0.471 |
Rmeas | 0.101 | ||
Total number of observations | 121862 | ||
Number of reflections | 32836 | ||
<I/σ(I)> | 5.9 | 17 | 1.8 |
Completeness [%] | 99.7 | 99.5 | 98.1 |
Redundancy | 3.68 | 3.63 | 2.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 18-22% PEG 8000, 100-130 mM MgAc2, 100 mM citric acid pH 5.0 |