1NFV
X-ray structure of Desulfovibrio desulfuricans bacterioferritin: the diiron centre in different catalytic states (as-isolated structure)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-09-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.992, 1.7387, 1.74 |
Spacegroup name | P 21 3 |
Unit cell lengths | 225.300, 225.300, 225.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.950 |
R-factor | 0.214 |
Rwork | 0.214 |
R-free | 0.25400 |
Structure solution method | MAD |
Starting model (for MR) | polyalanine model built from scratch |
RMSD bond length | 0.011 |
RMSD bond angle | 0.025 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | SnB |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.066 | 0.343 |
Total number of observations | 905598 * | |
Number of reflections | 271259 | |
<I/σ(I)> | 6.4 | 2.1 |
Completeness [%] | 98.9 | 97.6 |
Redundancy | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.6 * | 293 | Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326. * |
1 | VAPOR DIFFUSION, SITTING DROP | 3.6 * | 293 | Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326. * |
1 | VAPOR DIFFUSION, SITTING DROP | 3.6 * | 293 | Coelho, A.V., (2001) Acta Crystallogr., Sect.D, 57, 326. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
2 | 1 | reservoir | acetate | 0.1 (M) | pH3.6 |
3 | 1 | drop | protein | 13 (mg/ml) |