1KMP
Crystal structure of the Outer Membrane Transporter FecA Complexed with Ferric Citrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0003 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 117.467, 88.762, 95.071 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.950 - 2.500 |
R-factor | 0.242 |
Rwork | 0.242 |
R-free | 0.28200 |
Structure solution method | MAD |
Starting model (for MR) | Phase information was derived from an additional selenomethionyl derivative |
RMSD bond length | 0.007 |
RMSD bond angle | 26.400 * |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SnB |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 2.660 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.169 | |
Number of reflections | 34980 * | |
<I/σ(I)> | 6.6 | |
Completeness [%] | 98.3 | 0.723 |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 284 | Smith, B.S., (1998) Acta Cryst., D54, 697., Doublie, S., (1997) Methods Enzymol., 276, 532. * |