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 |