4K3F
Crystal structure of a putative TonB-dependent receptor (PA5505) from Pseudomonas aeruginosa PAO1 at 1.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8265,0.9794,0.9792 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.577, 40.509, 60.813 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.135 - 1.600 |
R-factor | 0.1523 |
Rwork | 0.151 |
R-free | 0.18470 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.536 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.135 | 1.660 | |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.056 | 0.025 | 0.467 |
Number of reflections | 32359 | 5655 | 6048 |
<I/σ(I)> | 9.16 | 26.4 | 1.9 |
Completeness [%] | 92.4 | 88.9 | 92.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.20M ammonium sulfate, 0.7% n-Butanol, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |