3IXM
Structure of the Gly74Cys mutant of arylmalonate decarboxylase in the sulfate ion associated form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 |
Unit cell lengths | 100.730, 100.730, 54.165 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.18311 |
Rwork | 0.180 |
R-free | 0.24462 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dtv |
RMSD bond length | 0.017 |
RMSD bond angle | 1.718 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | 0.129 |
Total number of observations | 174138 | |
Number of reflections | 16054 | |
Completeness [%] | 94.2 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 1.2M ammonium sulfate, 15%(w/v) glycerol, 0.1M HEPES, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |