7FCN
Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii
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 | 2021-07-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9789 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 118.775, 118.775, 53.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.600 |
R-factor | 0.1673 |
Rwork | 0.166 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3x0t |
RMSD bond length | 0.007 |
RMSD bond angle | 0.857 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.560 | 37.560 | 1.630 |
High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
Rmerge | 0.074 | 0.018 | 1.353 |
Rmeas | 0.076 | 0.019 | 1.379 |
Rpim | 0.015 | 0.004 | 0.268 |
Number of reflections | 51378 | 385 | 2520 |
<I/σ(I)> | 34.6 | 106.7 | 3 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 26.1 | 19.8 | 26.2 |
CC(1/2) | 1.000 | 1.000 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | 0.8 M Potasium sodium tartrate tetrahydrate, 0.1 M Tris-Cl pH 8.5, 0.5 % (w/v) Polyethelene glycol MME |