1QUP
CRYSTAL STRUCTURE OF THE COPPER CHAPERONE FOR SUPEROXIDE DISMUTASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 1998-06-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97917,0.97901,0.99489,0.96396 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.450, 111.450, 52.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.800 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.23800 |
RMSD bond length | 0.005 |
RMSD bond angle | 25.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | CNS (0.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | 0.180 |
Total number of observations | 435477 * | |
Number of reflections | 89322 | |
<I/σ(I)> | 14.2 | |
Completeness [%] | 97.0 | 71.9 |
Redundancy | 5 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 25 * | PEG 4000, AMMONIUM SULFATE, HEPES, BETA-MERCAPTOETHANOL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 25 * | PEG 4000, AMMONIUM SULFATE, HEPES, BETA-MERCAPTOETHANOL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | HEPES | 100 (mM) | |
2 | 1 | reservoir | ammonium sulfate | 270 (mM) | |
3 | 1 | reservoir | PEG4000 | 15 (%) | |
4 | 1 | reservoir | beta-mercaptoethanol | 2.25 (mM) |