3CB8
4Fe-4S-Pyruvate formate-lyase activating enzyme in complex with AdoMet and a peptide substrate
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.73955,1.74158,1.36241 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 74.494, 74.494, 187.737 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.950 - 2.770 |
| R-factor | 0.277 |
| Rwork | 0.229 |
| R-free | 0.25400 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEIT |
| Phasing software | SOLVE (2.10) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.950 | 2.870 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Number of reflections | 8376 | |
| <I/σ(I)> | 19.9 | 3.01 |
| Completeness [%] | 99.7 | 95 |
| Redundancy | 5.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 100 mM HEPES, 3.5 M sodium formate, 0.2 mM 2,6-dimethyl-4-heptyl-beta-D-maltopyranoside, pH 6.8, vapor diffusion, hanging drop, temperature 298K |
