3U4K
Crystal structure of the receptor binding domain of plasmid-born adhesin MrkD1P of Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 49.813, 49.813, 169.933 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.640 - 3.000 |
R-factor | 0.22893 |
Rwork | 0.227 |
R-free | 0.27303 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.868 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.810 | 41.810 | 3.160 |
High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
Rmerge | 0.108 | 0.040 | 0.610 |
Number of reflections | 5246 | ||
<I/σ(I)> | 23.9258 | ||
Completeness [%] | 98.7 | 97.01 | 98.64 |
Redundancy | 20.77 | 17.29 | 21.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M Sodium Acetate, 8 % PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |