4ERO
Study on structure and function relationships in human Pirin with Cobalt ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-26 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.127, 66.254, 106.127 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.080 - 2.650 |
R-factor | 0.1946 |
Rwork | 0.192 |
R-free | 0.23490 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.819 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.116 | 0.546 |
Number of reflections | 9285 | |
<I/σ(I)> | 9.4 | 1.6 |
Completeness [%] | 84.1 | 66 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG 200000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |