5IAI
Crystal structure of ABC transporter Solute Binding Protein Arad_9887 from Agrobacterium radiobacter K84, target EFI-510945 in complex with Ribitol
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 | 2015-03-18 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.272, 56.342, 52.095 |
| Unit cell angles | 90.00, 93.89, 90.00 |
Refinement procedure
| Resolution | 26.674 - 1.600 |
| R-factor | 0.1647 |
| Rwork | 0.163 |
| R-free | 0.19070 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.957 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.2.8) |
| Phasing software | BUCCANEER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.940 | 82.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.091 | 0.072 | 0.926 |
| Rmeas | 0.098 | 0.079 | 0.995 |
| Rpim | 0.036 | 0.032 | 0.363 |
| Total number of observations | 470882 | 2293 | 23278 |
| Number of reflections | 63514 | ||
| <I/σ(I)> | 15.1 | 35.6 | 2.2 |
| Completeness [%] | 99.9 | 90.9 | 100 |
| Redundancy | 7.4 | 6.1 | 7.4 |
| CC(1/2) | 0.998 | 0.990 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | Protein (10 mM HEPES pH 7.5, 5 mM DTT, 10 mM Ribitol); Reservoir (MCSG1 H7)(2.0 M Ammonium Sulfate, 0.1 M Bis-Tris pH 5.5); Cryoprotection (80% 2.5 LiSO4, 20% Reservoir) |
