3I0F
Crystal structure of GTB C80S/C196S + UDP + H antigen
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 | 52.459, 149.350, 79.584 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.900 - 1.560 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.21725 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz7 |
RMSD bond length | 0.030 |
RMSD bond angle | 2.247 |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.900 | 19.900 | 1.620 |
High resolution limit [Å] | 1.560 | 3.360 | 1.560 |
Rmerge | 0.041 | 0.021 | 0.300 |
Number of reflections | 43699 | ||
<I/σ(I)> | 54.5 | 3.6 | |
Completeness [%] | 97.3 | 93.4 | 99.6 |
Redundancy | 4.52 | 5.03 | 3.62 |
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 |