3NRP
Crystal structure of 'as isolated' uropathogenic E. coli strain F11 FetP recombinantly expressed in the periplasm of E. coli BL21(DE3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-23 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97964 |
Spacegroup name | P 32 |
Unit cell lengths | 134.852, 134.852, 45.422 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.010 - 1.600 |
R-factor | 0.1726 |
Rwork | 0.171 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.433 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 116.786 | 42.333 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.055 | 0.393 | |
Total number of observations | 21244 | 56301 | |
Number of reflections | 114166 | ||
<I/σ(I)> | 8.3 | 11.8 | 1.9 |
Completeness [%] | 93.6 | 97.9 | 88.1 |
Redundancy | 4.1 | 5.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 3350, 0.2 M ammonium citrate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |