5C8R
Crystal structure of ABBA + UDP-Glc + DI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 177 |
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 | 52.540, 149.260, 79.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.540 - 1.450 |
R-factor | 0.1761 |
Rwork | 0.176 |
R-free | 0.18560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz0 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.509 |
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] | 74.540 | 19.790 | 1.500 |
High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
Rmerge | 0.030 | 0.017 | 0.221 |
Total number of observations | 232709 | 26247 | 18388 |
Number of reflections | 54336 | ||
<I/σ(I)> | 23.9 | 70.4 | 4.6 |
Completeness [%] | 97.9 | 91.3 | 98.8 |
Redundancy | 4.25 | 4.87 | 3.4 |
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. |