3SXD
Crystal structure of BBBB+UDP+Gal with MPD as the cryoprotectant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-12-14 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.560, 149.830, 78.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.550 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz7 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.267 |
Data reduction software | d*TREK (9.1SSI) |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.953 | 19.740 | 1.610 |
High resolution limit [Å] | 1.550 | 3.330 | 1.550 |
Rmerge | 0.055 | 0.023 | 0.429 |
Total number of observations | 21762 | 15978 | |
Number of reflections | 44205 | ||
<I/σ(I)> | 13.5 | 46.9 | 3 |
Completeness [%] | 96.9 | 95.8 | 94.7 |
Redundancy | 4.37 | 4.69 | 3.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | 1% PEG4000, 5% MPD, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM ADA, pH 7.6, 30 mM sodium acetate, pH 4.6, 5 mM manganese chloride, with 20% MPD as cryoprotectant, HANGING DROP, temperature 298K |