2FRJ
Nitrosyl Horse Heart Myoglobin, Nitrite/Dithionite Method
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.497, 28.795, 63.257 |
Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
Resolution | 9.780 - 1.300 |
R-factor | 0.17954 |
Rwork | 0.177 |
R-free | 0.22012 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1npf |
RMSD bond length | 0.009 |
RMSD bond angle | 1.189 |
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] | 50.000 | 1.333 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.052 | |
Number of reflections | 28869 | |
<I/σ(I)> | 17.8 | |
Completeness [%] | 91.4 | 70.1 |
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 |