5JCL
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 | 2015-05-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.249, 85.518, 131.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1846 |
| Rwork | 0.182 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h4q |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.048 |
| 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] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.080 | 0.062 | 0.784 |
| Rmeas | 0.083 | 0.065 | 0.816 |
| Rpim | 0.023 | 0.019 | 0.222 |
| Total number of observations | 1090531 | ||
| Number of reflections | 82522 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.7 | 95.3 | 100 |
| Redundancy | 13.2 | 11.4 | 13.4 |
| CC(1/2) | 0.996 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Tris, ammonium acetate, PEG 3350 |
