3F4K
Crystal structure of a probable methyltransferase from Bacteroides thetaiotaomicron. Northeast Structural Genomics target BtR309.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-02 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 60.335, 60.335, 145.145 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.410 - 2.300 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.24400 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.074 | 0.308 |
Number of reflections | 26321 | |
<I/σ(I)> | 15 | 9.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 170mM Ammonium Acetate, 85mM Na Citrate pH 5.6, 15% glycerol, 25.5% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 170mM Ammonium Acetate, 85mM Na Citrate pH 5.6, 15% glycerol, 25.5% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |