3BE6
Crystal structure of FitE (crystal form 2), a group III periplasmic siderophore binding protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.10000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.815, 109.120, 221.992 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.450 - 1.820 |
R-factor | 0.18975 |
Rwork | 0.188 |
R-free | 0.21851 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3be5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.046 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.890 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 102274 | |
<I/σ(I)> | 13.7 | 4.1 |
Completeness [%] | 63.7 | |
Redundancy | 4.6 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 294 | 0.1M Tris-HCl pH 7.5, 0.2M MgCl2, 22% (w/v) PEG 3350, VAPOR DIFFUSION, temperature 294K |