1JNR
Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus at 1.6 resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 70 |
Detector technology | CCD |
Collection date | 1999-06-30 |
Detector | MARRESEARCH |
Wavelength(s) | 1.07, 1.005, 1.009, 1.733, 1.740 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.600, 113.500, 193.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.590 - 1.600 |
R-factor | 0.176 * |
Rwork | 0.180 |
R-free | 0.19800 * |
Structure solution method | MAD/MIR |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.063 * | |
Number of reflections | 196086 | |
Completeness [%] | 92.6 | 80.5 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 4 * | PEG 4000, sodium acetate, sodium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 4 * | PEG 4000, sodium acetate, sodium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 4-6 (%) | |
2 | 1 | reservoir | 0.1 (M) | pH4.8 | |
3 | 1 | reservoir | 0.2 (M) |