1X8C
Crystal structure of the SeMet-derivative copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2004-06-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97938, 0.97850, 0.97000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.579, 97.579, 131.846 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.260 - 2.100 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.22200 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.260 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.071 | 0.164 |
Number of reflections | 28343 | |
<I/σ(I)> | 8.3 | 4.3 |
Completeness [%] | 1.0 | 97.6 |
Redundancy | 10.5 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG8000, 0.1M HEPES-Na Ph 7.0, 0.1M Calcium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG8000, 0.1M HEPES-Na Ph 7.0, 0.1M Calcium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG8000, 0.1M HEPES-Na Ph 7.0, 0.1M Calcium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |