4NHB
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-10-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.090, 83.407, 65.043 |
Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
Resolution | 25.637 - 1.902 |
R-factor | 0.1886 |
Rwork | 0.185 |
R-free | 0.24760 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.378 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 (SHELX) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.061 | 0.020 | 0.585 |
Number of reflections | 44391 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.9 | 98.6 | 99.6 |
Redundancy | 5.9 | 5.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 33.8 mg/mL protein in 10 mM HEPES, pH 7.5, 5 mM DTT, reservoir: 0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, 30% w/v PEG4000, cryoprotection: 4:1 50% PEG3350, 500 mM NaI:reservoir (3 minutes), VAPOR DIFFUSION, SITTING DROP, temperature 298K |