6J33
Crystal structure of ligand-free of PulA from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-22 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 |
Unit cell lengths | 60.357, 80.276, 127.741 |
Unit cell angles | 96.70, 102.30, 112.10 |
Refinement procedure
Resolution | 39.264 - 1.297 |
R-factor | 0.1291 |
Rwork | 0.128 |
R-free | 0.15370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fhf |
RMSD bond length | 0.009 |
RMSD bond angle | 0.965 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.340 |
High resolution limit [Å] | 1.297 | 1.300 |
Rmerge | 0.052 | 0.334 |
Rmeas | 0.058 | 0.413 |
Rpim | 0.026 | 0.240 |
Number of reflections | 495665 | 46251 |
<I/σ(I)> | 20.1 | 3.5 |
Completeness [%] | 94.4 | 88 |
Redundancy | 3.8 | 2.7 |
CC(1/2) | 0.999 | 0.849 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Magnesium acetate, 0.2M Sodium Acetate buffer (pH 6.0), 20%(w/v) PEG 6000 |