4N8T
Human hemoglobin nitric oxide adduct
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 | 2008-03-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.567, 53.567, 192.499 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.480 - 1.900 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.25158 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ird |
RMSD bond length | 0.019 |
RMSD bond angle | 1.876 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.500 | 1.949 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.071 | |
Number of reflections | 23142 | |
<I/σ(I)> | 17.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.8 | 295 | SOLDIUM PHOSPHATE, POTASSIUM PHOSPHATE, TOLUENE, HUMAN HEMOGLOBIN, pH 6.8, LIQUID DIFFUSION, temperature 295K |