1J9T
Crystal structure of nitrite soaked reduced H255N AFNIR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-01-19 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.639, 102.233, 145.951 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.950 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.21800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.071 | 0.292 |
Number of reflections | 67729 | 11357 * |
<I/σ(I)> | 14.6 | 3.96 |
Completeness [%] | 96.5 | 98.2 |
Redundancy | 7.74 * | 3.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 298 | PEG 6000, sodium acetate, sodium nitrite, copper chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium cacodylate | 0.1 (M) | |
2 | 1 | reservoir | sodium acetate | 0.1 (M) | |
3 | 1 | reservoir | PEG6000 | 10-15 (%) | |
4 | 1 | reservoir | 5 (mM) | equimolar | |
5 | 1 | reservoir | zinc acetate | 5 (mM) | equimolar |
6 | 1 | drop | protein | 10 (mg/ml) | |
7 | 1 | drop | Tris | 10 (mM) |