4NMY
Crystal Structure of the Thiamin-bound form of Substrate-binding Protein of 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 | 2013-11-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97927 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.529, 76.867, 154.901 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.433 - 1.896 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.20300 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.097 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 47478 | |
<I/σ(I)> | 8.5 | 2.5 |
Completeness [%] | 99.7 | 98.4 |
Redundancy | 4.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 1.2 M ammonium sulfate, 0.1 M sodium succinate pH7.5, 0.96 % LDAO, VAPOR DIFFUSION, SITTING DROP, temperature 289K |