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 |
