4JEB
Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-30 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 54.942, 54.942, 145.658 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.550 - 2.300 |
R-factor | 0.2479 |
Rwork | 0.244 |
R-free | 0.30880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iq6 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.560 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.553 | 36.415 | 2.280 |
High resolution limit [Å] | 2.158 | 6.830 | 2.160 |
Rmerge | 0.065 | 0.692 | |
Total number of observations | 2243 | 7597 | |
Number of reflections | 13468 | ||
<I/σ(I)> | 6.5 | 9.5 | 1.1 |
Completeness [%] | 96.9 | 97.7 | 84.9 |
Redundancy | 5.2 | 4.7 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 35% methyl-pentandiol, 0.1M HEPES pH 7.5, 0.2M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K |