2FCT
SyrB2 with Fe(II), chloride, and alpha-ketoglutarate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-09 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.150, 89.600, 124.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.800 - 1.600 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20400 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.407 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.800 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 81779 | |
| <I/σ(I)> | 13.3 | 3.9 |
| Completeness [%] | 95.9 | 92.2 |
| Redundancy | 6.51 | 5.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 15% PEG 3350, 250 mM Na formate, spermine tetra-HCl, n-decanoyl sucrose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |
