3I0L
Crystal structure of GTB C80S/C196S/C209S + DA + UDP-Gal
Experimental procedure
Experimental method | Molecular Replacement |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-27 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.545, 149.277, 79.454 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 1.600 |
R-factor | 0.18594 |
Rwork | 0.184 |
R-free | 0.22278 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz7 |
RMSD bond length | 0.030 |
RMSD bond angle | 2.447 |
Data scaling software | d*TREK (9.4SSI) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.760 | 19.760 | 1.660 |
High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
Rmerge | 0.046 | 0.025 | 0.269 |
Number of reflections | 39424 | ||
<I/σ(I)> | 42.2 | 4.1 | |
Completeness [%] | 94.6 | 96.4 | 89.5 |
Redundancy | 4.29 | 4.46 | 3.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 279.15 | 35mM sodium acetate pH 4.6, 45 mM ADA, 30mM sodium chloride, 3-4 mM magnesium chloride, 3-3.5% PEG 4000, vapor diffusion, hanging drop, temperature 279.15K |