4G41
Crystal structure of s-adenosylhomocysteine nucleosidase from streptococcus pyogenes in complex with 5-methylthiotubericidin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-20 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.735, 72.345, 116.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.470 - 1.450 |
R-factor | 0.1636 |
Rwork | 0.162 |
R-free | 0.19744 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | S.AUREUS MTAN |
RMSD bond length | 0.025 |
RMSD bond angle | 2.314 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.620 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.033 | 0.247 |
Number of reflections | 66215 | |
<I/σ(I)> | 27.3 | 2.4 |
Completeness [%] | 87.5 | 21.3 |
Redundancy | 4.4 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 30% PEG MME 5000, 0.1M MES, 0.2M AMMONIUM SULPHATE, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 295K |