5C4E
Crystal structure of GTB + UDP-Glc + H-antigen acceptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-25 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.640, 149.670, 79.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.830 - 1.550 |
R-factor | 0.1744 |
Rwork | 0.173 |
R-free | 0.19790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz0 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.612 |
Data reduction software | CrystalClear (1.3.6 SP2 r1) |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.830 | 19.810 | 1.610 |
High resolution limit [Å] | 1.550 | 3.330 | 1.550 |
Rmerge | 0.046 | 0.029 | 0.273 |
Total number of observations | 191477 | 19668 | 15752 |
Number of reflections | 45267 | ||
<I/σ(I)> | 15.6 | 39 | 3.7 |
Completeness [%] | 98.5 | 92.5 | 99.7 |
Redundancy | 4.2 | 4.28 | 3.49 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Grown in 1% polyethylene glycol (PEG) 4000, 4.5-5% 2-methyl-2,4-pentanediol (MPD), 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM N-[-acetamido]-2-iminodiacetic acid (ADA), 30 mM sodium acetate, 5 mM manganese chloride. Grown 5-10 days. |