4N6D
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638 (Desal_3247), Target EFI-510112, phased with I3C, open complex, C-terminus of symmetry mate bound in ligand binding site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-10-09 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.703, 68.249, 108.687 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.982 - 1.701 |
R-factor | 0.1472 |
Rwork | 0.145 |
R-free | 0.18360 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.213 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.053 | 0.040 | 0.237 |
Number of reflections | 36699 | ||
<I/σ(I)> | 22.3 | ||
Completeness [%] | 98.3 | 98.5 | 84.9 |
Redundancy | 12.4 | 13.3 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 40 mg/mL protein in 10 mM HEPES, pH 7.5, 5 mM DTT, 10 mM D-Tryptophan, reservoir: 0.1 M tri-sodium citrate, pH 5.5, 20% w/v PEG3000, soak for 5 minutes in 250 mM IC3, 20% PEG3350, 100 mM HEPES, pH 7.0, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |