8JCS
Crystal structure of Procerain-B from Calotropis gigantea
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 | 2021-07-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.426, 91.466, 64.392 |
| Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
| Resolution | 32.200 - 1.250 |
| R-factor | 0.2022 |
| Rwork | 0.192 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.532 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.730 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.051 | 0.200 |
| Rmeas | 0.055 | 0.227 |
| Rpim | 0.020 | 0.106 |
| Number of reflections | 97592 | 3705 |
| <I/σ(I)> | 24.1 | 5.8 |
| Completeness [%] | 97.3 | 75.1 |
| Redundancy | 6.9 | 4.5 |
| CC(1/2) | 0.999 | 0.916 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.2 | 293 | 0.2M phospho-citrate buffer pH 4.2, 55% PEG 200 |
