4MIE
Crystal Structure of apo myo-inositol dehydrogenase from Lactobacillus casei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97952 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.110, 110.980, 125.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.590 - 2.000 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.22880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mz0 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.128 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.180 | 41.590 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.039 | 0.597 | |
Total number of observations | 24299 | 90591 | |
Number of reflections | 101470 | ||
<I/σ(I)> | 13.2 | 13.3 | 1.2 |
Completeness [%] | 99.9 | 99.6 | 99.6 |
Redundancy | 6.9 | 7 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 298 | ammonium sulfate, pH 6.5, MICROBATCH, temperature 298K |