3LR9
X-ray photogenerated ferrous horse heart myoglobin, nitrite adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.327, 28.691, 62.911 |
Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
Resolution | 26.740 - 1.550 |
R-factor | 0.1803 |
Rwork | 0.178 |
R-free | 0.21180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 1dwr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.994 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.740 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.042 | 0.186 |
Number of reflections | 17892 | |
<I/σ(I)> | 15.7 | 3.9 |
Completeness [%] | 99.2 | 95.3 |
Redundancy | 3.85 | 2.87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | seeding | 7.4 | 295 | 2.74 M ammonium sulfate, 100 mM TrisHCl, 1 mM EDTA, pH 7.4, seeding, temperature 295K |