1NBI
Structure of R175K mutated glycine N-methyltransferase complexed with S-adenosylmethionine, R175K:SAM.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-05-15 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 |
Unit cell lengths | 77.870, 77.870, 227.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 3.000 |
R-factor | 0.166 |
Rwork | 0.165 |
R-free | 0.29000 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 27.600 * |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 3.100 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.077 | 0.266 * |
Total number of observations | 145578 * | |
Number of reflections | 25540 * | |
<I/σ(I)> | 5 | |
Completeness [%] | 98.0 * | 96 * |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 23 * | PEG 3400, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | SAM | 5 (mM) | |
2 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.6 |
3 | 1 | reservoir | ammonium acetate | 100 (mM) | |
4 | 1 | reservoir | 50 (mM) | ||
5 | 1 | reservoir | PEG3400 | 10 (%(w/v)) | |
6 | 1 | drop | protein | 20 (mg/ml) |