1LT7
Oxidized Homo sapiens betaine-homocysteine S-methyltransferase in complex with four Sm(III) ions
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-08-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.845, 1.746 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 109.990, 90.085, 89.085 |
Unit cell angles | 90.00, 122.10, 90.00 |
Refinement procedure
Resolution | 10.000 * - 2.150 |
R-factor | 0.218 |
Rwork | 0.203 |
R-free | 0.24800 * |
Structure solution method | MAD |
RMSD bond length | 0.018 * |
RMSD bond angle | 1.802 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.046 | 0.213 |
Total number of observations | 148174 * | |
Number of reflections | 40062 * | |
<I/σ(I)> | 17.3 | 3.41 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.7 * | 1.82 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 22 * | PEG 200, sodium citrate, N,N-dimethylglycine, samarium (III) acetate, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | Tris | 20 (mM) | pH8.0 |
3 | 1 | drop | beta-mercaptoethanol | 5 (mM) | |
4 | 1 | drop | DMG | 10 (mM) | |
5 | 1 | drop | PEG200 | 40 (%) | |
6 | 1 | drop | sodium citrate | 0.1 (M) | pH5.20 |
7 | 1 | reservoir | PEG200 | 40 (%) | |
8 | 1 | reservoir | sodium citrate | 0.1 (M) | pH5.20 |