3ETC
2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 113 |
Detector technology | CCD |
Collection date | 2006-07-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9879, 0.97894, 0.97928, 0.95665 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.699, 96.371, 141.543 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.880 - 2.100 |
R-factor | 0.17676 |
Rwork | 0.175 |
R-free | 0.20653 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.168 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.082 | 0.487 |
Number of reflections | 72781 | |
<I/σ(I)> | 9.4 | 2 |
Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 80 % PEG 400, 100 mM MgNO3, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |