4KD5
substrate binding domain of putative molybdenum ABC transporter from Clostridium difficile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97899 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 123.644, 141.068, 122.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.089 - 2.500 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.25900 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.789 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: dev_1227)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 37152 | |
<I/σ(I)> | 15.3 | 2.03 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 5.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 289 | 2.4M ammonium sulfate, 150 mM Formate pH 4.0, 3% 2-Butanol, 3mM rhenium chloride , VAPOR DIFFUSION, SITTING DROP, temperature 289K |