4JB7
1.42 Angstrom resolution crystal structure of accessory colonization factor AcfC (acfC) in complex with D-aspartic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 72.343, 72.343, 87.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.930 - 1.420 |
R-factor | 0.12667 |
Rwork | 0.126 |
R-free | 0.14148 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.489 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.440 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.087 | 0.615 |
Number of reflections | 44772 | |
<I/σ(I)> | 45.47 | 3.82 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.5 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 295 | Protein: 7.3 mg/mL in 10 mM Tris-HCl, pH 8.0, 0.25 M NaCl 5 mM BME. Crystallization: PACT Suite D6(#42): 0.1 M MMT buffer pH 9.0 25 % (w/v) PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 295K |