4RXM
Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol
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 | 2014-12-05 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.784, 120.175, 137.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.15661 |
| Rwork | 0.156 |
| R-free | 0.18733 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.359 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.090 | 0.970 |
| Number of reflections | 68349 | |
| <I/σ(I)> | 33.3 | 3.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.8 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 294 | PROTEIN (10 MM HEPES PH 7.5, 5 MM DTT, 10 MM MYOINOSITOL); RESERVOIR: 0.1 M Na2HPO4:Citric Acid, PH 4.2, 0.2 M SODIUM CHLORIDE, 20% PEG8000; CRYOPROTECTION: RESERVOIR SOLUTION PLUS 20% GLUCOSE (VOL/VOL); VAPOR DIFFUSION, SITTING DROP, temperature 294K |
