3IH9
Crystal Structure Analysis of Mglu in its tris form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2007-10-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.701, 141.393, 75.234 |
Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
Resolution | 19.900 - 2.500 |
Rwork | 0.217 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ih8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.21) |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.622 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.124 | 0.492 |
Total number of observations | 149207 | |
Number of reflections | 40451 | |
<I/σ(I)> | 3.9 | 1.4 |
Completeness [%] | 98.4 | 98.4 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 15% PEG 4000, 100mM Sodium Acetate, 50mM HEPES, 300mM Tris, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |