8JCR
Crystal structure of Procerain from Calotropis gigantea (pH 6.0)
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 | 2021-07-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97893 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.675, 120.980, 61.024 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.770 - 1.400 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.17380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.956 |
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] | 42.960 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.059 | 1.190 |
Rmeas | 0.062 | 1.251 |
Rpim | 0.018 | 0.385 |
Number of reflections | 50390 | 2472 |
<I/σ(I)> | 22.5 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.2 | 10.3 |
CC(1/2) | 1.000 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6 | 293 | 0.1 M MMT (L-Malic acid, MES, Tris) buffer pH 6.0, 25% PEG 1500 |