5TYH
PglD from Campylobacter jejuni NCTC 11168 in complex with 5-(2-furanyl)-1H-pyrazole-3-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-04-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.080900 |
Spacegroup name | P 63 |
Unit cell lengths | 86.726, 86.726, 65.530 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 12.000 - 2.100 |
R-factor | 0.19823 |
Rwork | 0.196 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2npo |
RMSD bond length | 0.019 |
RMSD bond angle | 1.699 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.155 |
High resolution limit [Å] | 2.100 | 2.102 |
Rmerge | 0.061 | 0.654 |
Number of reflections | 16473 | |
<I/σ(I)> | 24.3 | 1.3 |
Completeness [%] | 97.9 | 83.11 |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | pH 4.5, 0.1 mM sodium acetate, 1.9 M ammonium sulphate, 22 C |