4HCF
Crystal Structure of Uncharacterized Cupredoxin-like Domain Protein Cupredoxin_1 with Copper Bound from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97935 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.275, 73.594, 40.366 |
Unit cell angles | 90.00, 116.72, 90.00 |
Refinement procedure
Resolution | 30.430 - 1.703 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Structure of the same protein (cupredoxin_1) without copper bound |
RMSD bond length | 0.008 |
RMSD bond angle | 1.199 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 21670 | |
<I/σ(I)> | 11.8 | 2.48 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 120 mM magnessium sulfate, 150 mM formate pH 4.0, 38.6 % w/v PEG1000, 10 mM copper chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K |