3TBO
Crystal structure of a type 3 CDGSH iron-sulfur protein.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-16 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 49.903, 49.903, 46.076 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.500 |
R-factor | 0.19713 |
Rwork | 0.196 |
R-free | 0.22162 |
Structure solution method | SAD, MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.731 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.084 | 0.487 |
Number of reflections | 10747 | |
<I/σ(I)> | 51.9 | 10.4 |
Completeness [%] | 98.1 | 100 |
Redundancy | 11.3 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6M Magnesium Sulfate, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |