1M6Y
Crystal Structure Analysis of TM0872, a Putative SAM-dependent Methyltransferase, Complexed with SAH
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 170 |
Detector technology | CCD |
Collection date | 2002-04-03 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9787, 0.9785, 0.9537 |
Spacegroup name | P 21 3 |
Unit cell lengths | 133.400, 133.400, 133.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.900 |
Rwork | 0.197 |
R-free | 0.21200 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 22.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.02) |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.890 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.072 | 0.341 |
Total number of observations | 854224 * | |
Number of reflections | 62341 * | |
<I/σ(I)> | 22 | 4.7 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 13.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | Drop: 50mM Na Cacodylate pH 6.5, 5mM HEPES pH 7.5, 0.1M Ammonium Sulfate, 9% PEG 8000, 0.25M NaCl, 1mM BME, 0.3mM S-adenosyl-L-homocysteine, 10mg/ml protein. Well: 0.1M Na Cacodylate pH 6.5, 0.1M Ammonium Sulfate, 18 % PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium cacodylate | 50 (mM) | pH6.5 |
10 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
11 | 1 | reservoir | PEG8000 | 18 (%) | |
2 | 1 | drop | HEPES | 5 (mM) | pH7.5 |
3 | 1 | drop | ammonium sulfate | 0.1 (M) | |
4 | 1 | drop | PEG8000 | 9 (%) | |
5 | 1 | drop | 0.25 (M) | ||
6 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
7 | 1 | drop | S-adenosyl-L-homocysteine | 0.3 (mM) | |
8 | 1 | drop | protein | 10 (mg/ml) | |
9 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |