2FCV
SyrB2 with Fe(II), bromide, and alpha-ketoglutarate
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 | 2005-06-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9195 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.120, 89.350, 125.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.180 - 1.800 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21000 |
| Structure solution method | RIGID BODY |
| Starting model (for MR) | SyrB2 with Fe(II) chloride and alpha-ketoglutarate |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.532 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.180 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 57215 | |
| <I/σ(I)> | 18.2 | 2.4 |
| Completeness [%] | 95.3 | 86.4 |
| Redundancy | 7.6 | 5.9 |
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 |
