1NBH
Structure of glycine N-methyltransferase complexed with S-adenosylmethionine and acetate, GNMT:SAM:Ace
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-10 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.050, 117.010, 137.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 23.800 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 3.000 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.072 | 0.258 * |
| Total number of observations | 195411 * | |
| Number of reflections | 36870 * | |
| <I/σ(I)> | 5 | |
| Completeness [%] | 99.0 * | 97 * |
| 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) |
