8Z78
Crystal structure of Procerain-B from Calotropis gigantea with glycerol
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 | 2023-10-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.978930 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.478, 91.697, 64.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.400 - 1.900 |
| R-factor | 0.1664 |
| Rwork | 0.163 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.731 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.850 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.140 | 0.625 |
| Rmeas | 0.155 | 0.702 |
| Rpim | 0.067 | 0.314 |
| Number of reflections | 28785 | 1799 |
| <I/σ(I)> | 12.1 | 2.6 |
| Completeness [%] | 99.5 | 95.6 |
| Redundancy | 5.3 | 4.8 |
| CC(1/2) | 0.994 | 0.765 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.6 | 293 | 0.2 M phospho-citrate pH 4.6, 65% PEG 400, 15% glycerol |
