3BSW
PglD-citrate complex, from Campylobacter jejuni NCTC 11168
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2007-02-07 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97840 |
Spacegroup name | P 63 |
Unit cell lengths | 86.347, 86.347, 65.538 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.770 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.19900 |
Structure solution method | SIRAS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.189 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.830 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.062 | 0.571 |
Number of reflections | 27129 | |
<I/σ(I)> | 27.7 | 2.9 |
Completeness [%] | 99.4 | 99.6 |
Redundancy | 5.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | SeMet derivative: 1 M sodium citrate, 100 mM imidazole, pH 8.0 in the resevior; protein solution containing 20 mM HEPES, 150 mM NaCl, pH 7.1, protein concentration of 10 mg/mL; drop made by mixing 1.5 uL of protein and resevoir solutions, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | SeMet derivative: 1 M sodium citrate, 100 mM imidazole, pH 8.0 in the resevior; protein solution containing 20 mM HEPES, 150 mM NaCl, pH 7.1, protein concentration of 10 mg/mL; drop made by mixing 1.5 uL of protein and resevoir solutions, VAPOR DIFFUSION, SITTING DROP, temperature 277K |