2FRF
Horse Heart Myoglobin, Nitrite Adduct, Crystal Soak
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.90 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.240, 28.607, 62.938 |
Unit cell angles | 90.00, 105.75, 90.00 |
Refinement procedure
Resolution | 9.940 - 1.200 |
R-factor | 0.17048 |
Rwork | 0.168 |
R-free | 0.21107 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1npf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.076 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.073 | 0.303 |
Number of reflections | 37088 | |
<I/σ(I)> | 7.8 | 4.34 |
Completeness [%] | 98.3 | 92.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | Ammonium Sulfate/Tris-HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |