4MKZ
Crystal Structure of apo scyllo-inositol dehydrogenase from Lactobacillus casei at 77K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2012-06-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 43.450, 121.650, 130.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.735 - 1.600 |
R-factor | 0.2056 |
Rwork | 0.204 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.025 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.123 | 32.735 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.034 | 0.245 | |
Total number of observations | 10371 | 46827 | |
Number of reflections | 46240 | ||
<I/σ(I)> | 18.2 | 17.3 | 3 |
Completeness [%] | 99.9 | 96.4 | 100 |
Redundancy | 7.2 | 6.7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5 | 298 | 1:1 2.8 M ammonium sulfate + 0.18 M citric acid, pH 5.0 to 25 mM Tris-Hcl, pH 8.0, MICROBATCH, temperature 298K |