6FTZ
COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.220, 49.975, 39.370 |
Unit cell angles | 90.00, 106.07, 90.00 |
Refinement procedure
Resolution | 18.700 - 1.670 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fbe |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.980 | 1.740 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.055 | 0.197 |
Number of reflections | 23397 | |
<I/σ(I)> | 10.62 | 5.53 |
Completeness [%] | 97.1 | 90.6 |
Redundancy | 3.09 | 2.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | PEG3350, 100 mM HEPES pH 7.5 |