5JCI
Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 81.270, 81.270, 120.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.145 |
| Rwork | 0.143 |
| R-free | 0.17980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.657 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.500 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.063 | 0.047 | 0.295 |
| Total number of observations | 410067 | ||
| Number of reflections | 85440 | ||
| <I/σ(I)> | 17.3 | ||
| Completeness [%] | 99.2 | 89.1 | 100 |
| Redundancy | 4.8 | 4.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Tris, lithium sulfate, PEG 5000 MME |
