7FDP
Crystal structure of PirB 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 | 2019-10-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979470 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.802, 89.274, 124.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.520 - 2.100 |
| R-factor | 0.1937 |
| Rwork | 0.192 |
| R-free | 0.23140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3x0u |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.524 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.620 | 47.620 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.148 | 0.067 | 0.632 |
| Rmeas | 0.159 | 0.073 | 0.685 |
| Rpim | 0.059 | 0.029 | 0.261 |
| Number of reflections | 48762 | 734 | 3859 |
| <I/σ(I)> | 9.9 | 25.4 | 2.9 |
| Completeness [%] | 99.8 | 99.4 | 98.4 |
| Redundancy | 7.2 | 6.3 | 6.7 |
| CC(1/2) | 0.995 | 0.995 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.2 | 293 | 0.2 M sodium chloride, 0.1 M phosphate-Citrate buffer pH 4.2, 20% PEG8000 |
