1PO0
Crystal structure of ferric citrate transporter FecA in complex with iron-free citrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-02-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9180 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 113.070, 89.310, 95.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 2.150 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB accession code 1KMO |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.410 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 2.200 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.112 | 0.412 * |
Total number of observations | 215425 * | |
Number of reflections | 54094 * | 3498 * |
<I/σ(I)> | 10.5 | 2.3 |
Completeness [%] | 98.0 * | 90.1 |
Redundancy | 4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 22 * | PEG1000, LDAO, sodium citrate, sodium chloride , pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG1000 | 11 (%(w/w)) | |
2 | 1 | reservoir | 350 (mM) | ||
3 | 1 | reservoir | sodium citrate | 0.025 (M) | pH5.5 |
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)) |