4EWA
Study on structure and function relationships in human Pirin with Fe ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
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 | 42.171, 66.696, 106.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.480 - 2.470 |
R-factor | 0.24306 |
Rwork | 0.240 |
R-free | 0.29580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j1l |
RMSD bond length | 0.006 |
RMSD bond angle | 1.091 |
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 | 2.520 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.131 | 0.524 |
Number of reflections | 10058 | |
<I/σ(I)> | 46.2 | 3.8 |
Completeness [%] | 89.5 | 75 |
Redundancy | 5.5 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG 20000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |