1PO3
Crystal structure of ferric citrate transporter FecA in complex with ferric citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.489, 147.003, 96.131 |
| Unit cell angles | 90.00, 110.58, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.400 |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB accession code 1KMP |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.580 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.097 | 0.382 * |
| Total number of observations | 135112 * | |
| Number of reflections | 30794 * | 3036 * |
| <I/σ(I)> | 13.9 | 3.8 |
| Completeness [%] | 100.0 * | 100 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 22 * | PEG1000, LDAO, calcium chloride, Bis-Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG1000 | 14 (%(w/w)) | |
| 2 | 1 | reservoir | 100 (mM) | ||
| 3 | 1 | reservoir | Bis-Tris | 0.025 (M) | pH7.0 |
| 4 | 1 | drop | protein | 15 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 25 (mM) | pH8.0 |
| 6 | 1 | drop | LDAO | 0.1 (%) | |
| 7 | 1 | drop | 350 (mM) | ||
| 8 | 1 | drop | 1,2,3-heptanetriol | 3 (%(v/v)) |
