3QGP
Crystal structure of IsdI in complex with heme and cyanide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97607 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.820, 65.860, 69.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.871 - 1.800 |
R-factor | 0.1759 |
Rwork | 0.175 |
R-free | 0.19590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lgn |
RMSD bond length | 0.013 |
RMSD bond angle | 1.255 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.871 | 43.871 | 1.900 |
High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
Rmerge | 0.039 | 0.370 | |
Total number of observations | 5839 | 25320 | |
Number of reflections | 25604 | ||
<I/σ(I)> | 16.8 | 14.5 | 2.1 |
Completeness [%] | 99.9 | 99.2 | 99.9 |
Redundancy | 6.7 | 6.4 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 25% w/v polyethylene glycol 3350, 0.2 M MgCl2, 0.1 M Bis-Tris, pH 5.5, and flash frozen with a cryoprotectant of 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 295K |