4YZZ
Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site
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 | 2015-02-11 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.249, 50.104, 96.556 |
Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
Resolution | 24.198 - 1.300 |
R-factor | 0.14 |
Rwork | 0.139 |
R-free | 0.16300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yic |
RMSD bond length | 0.008 |
RMSD bond angle | 1.273 |
Data scaling software | Aimless (0.5.1) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.420 | 25.420 | 1.320 |
High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
Rmerge | 0.076 | 0.029 | 0.583 |
Rpim | 0.045 | 0.018 | 0.358 |
Total number of observations | 526365 | 2790 | 19267 |
Number of reflections | 138836 | ||
<I/σ(I)> | 11.5 | 31 | 2.1 |
Completeness [%] | 95.2 | 87.1 | 80.6 |
Redundancy | 3.8 | 3.4 | 3.3 |
CC(1/2) | 0.998 | 0.998 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 298 | Protein (10 mM HEPES pH 7.5, 5 mM DTT, 1mM CaCl2, 1 mM Picolinic Acid); Reservoir (MCSG2 (E8) 0.1 M CHES pH 9.5, 20 %(w/v) PEG 8000); Cryoprotection (20% diethylene glycol, 80% Reservoir) |