4R6D
Modified mTFP* for enhanced metal binding: co-crystallization with CuCl2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-06 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.198, 67.656, 84.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.550 |
R-factor | 0.1529 |
Rwork | 0.151 |
R-free | 0.19397 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q9w |
RMSD bond length | 0.009 |
RMSD bond angle | 1.608 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.040 | 0.390 |
Number of reflections | 32526 | |
<I/σ(I)> | 17 | 4.7 |
Completeness [%] | 99.9 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25.9% PEG3000, 100mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |