8FDN
Human Hemoglobin with N-tertbutylhydroxylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-12 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 53.262, 53.262, 192.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.660 - 2.200 |
R-factor | 0.2204 |
Rwork | 0.217 |
R-free | 0.29060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p5q |
RMSD bond length | 0.014 |
RMSD bond angle | 1.487 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.670 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 26841 | 2518 |
<I/σ(I)> | 12.46 | |
Completeness [%] | 98.2 | |
Redundancy | 1.8 | |
CC(1/2) | 0.988 | 0.289 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | 3.2 M sodium/potassium phosphate |