4WT7
Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-15 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 77.080, 83.930, 189.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.800 - 2.000 |
R-factor | 0.1861 |
Rwork | 0.184 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l49 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.489 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.1.27) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.880 | 25.880 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.116 | 0.040 | 0.318 |
Rpim | 0.032 | 0.012 | 0.085 |
Total number of observations | 563578 | 6607 | 45186 |
Number of reflections | 38991 | ||
<I/σ(I)> | 15.8 | 31.1 | 7.4 |
Completeness [%] | 93.1 | 95.9 | 100 |
Redundancy | 14.5 | 12.8 | 14.7 |
CC(1/2) | 0.998 | 0.999 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | protein (29.0 mg/mL, 10 mM HEPES, pH 7.5, 5 mM DTT, 10 mM allitol), reservoir (0.2 M lithium chloride, 20% w/v PEG3350), cryoprotection (80% reservoir + 20% glycerol) |