7C2O
Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330 without DTT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.392, 100.950, 115.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.130 - 2.900 |
| R-factor | 0.2438 |
| Rwork | 0.238 |
| R-free | 0.29580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oaq |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.491 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.130 | 2.980 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmeas | 0.170 | |
| Number of reflections | 17471 | 2331 |
| <I/σ(I)> | 8.44 | 1.66 |
| Completeness [%] | 99.3 | 96.1 |
| Redundancy | 3.86 | 3.67 |
| CC(1/2) | 0.990 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 22.5%(w/v) PEG 4000, 0.1M HEPES pH 7.5, 8% isopropanol |
