3QVZ
Crystal structure of the Zn-RIDC1 complex stabilized by BMOE crosslinks cocrystallized in the presence of Cu(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.265 |
Spacegroup name | P 61 |
Unit cell lengths | 52.525, 52.525, 255.717 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.860 - 2.640 |
R-factor | 0.264 |
Rwork | 0.261 |
R-free | 0.30560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 1.730 |
Data reduction software | DENZO |
Data scaling software | SCALA (3.3.6) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.488 | 51.143 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.056 | 0.545 | |
Total number of observations | 8511 | 32586 | |
Number of reflections | 13499 | ||
<I/σ(I)> | 13.8 | 8.2 | 1.3 |
Completeness [%] | 97.9 | 98.7 | 97 |
Redundancy | 15.8 | 18.4 | 16.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 100 mM HEPES, 12% PEG 3350, 2.46 mM copper sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |