3G5T
Crystal structure of trans-aconitate 3-methyltransferase from yeast
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97886 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.834, 91.891, 104.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.470 - 1.119 |
R-factor | 0.121 |
Rwork | 0.120 |
R-free | 0.13700 |
Structure solution method | SAD |
RMSD bond length | 0.030 |
RMSD bond angle | 2.262 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.160 |
High resolution limit [Å] | 1.119 | 2.410 | 1.119 |
Rmerge | 0.104 | 0.075 | 0.322 |
Number of reflections | 134803 | ||
<I/σ(I)> | 32.628 | 4.464 | |
Completeness [%] | 97.4 | 99.6 | 77.3 |
Redundancy | 12.5 | 14.3 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Protein solution (8 mg/ml MSE Protein, 0.040 M NaCl, 0.00024 M TCEP, 0.001 M SAM, 0.008 M Trans-aconitic acid, 0.0045 M HEPES pH 7.0) mixed in a 1:1 ratio with the Well solution (24% PEG 8000, 2% DMSO, 0.05 M HEPES pH 7.5). Cryoprotected with 23% PEG 8000, 2% DMSO, 0.001 M SAM, 0.0085 M Trans-aconitate, 0.05 M HEPES pH 7.5, 19% Ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |