5JCM
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 | 2015-11-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.391, 85.137, 131.806 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.1768 |
| Rwork | 0.174 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h4q |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.225 |
| 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] | 71.520 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.103 | 0.068 | |
| Rmeas | 0.107 | 0.071 | |
| Rpim | 0.030 | 0.021 | 0.269 |
| Total number of observations | 982181 | ||
| Number of reflections | 69512 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 99.3 | 98.2 | 98.8 |
| Redundancy | 14.1 | 11.3 | 14.9 |
| CC(1/2) | 0.996 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Tris, ammonium acetate, PEG 3350 |
