9F92
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-nitrobenzoic acid
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 56.127, 56.127, 155.789 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.930 - 1.320 |
R-factor | 0.1219 |
Rwork | 0.121 |
R-free | 0.14600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.935 |
Data reduction software | XDS (Jun 30, 2023) |
Data scaling software | Aimless (0.7.9) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.930 | 1.390 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.147 | 1.743 |
Rmeas | 0.152 | 1.803 |
Rpim | 0.038 | 0.458 |
Number of reflections | 67515 | 9725 |
<I/σ(I)> | 10.6 | 2.4 |
Completeness [%] | 100.0 | |
Redundancy | 15.5 | 15.5 |
CC(1/2) | 0.997 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 2-amino-3-nitrobenzoic acid (50 mM), lithium sulfate (200 mM), PEG 3350 (25%), Bis-TRIS (pH 5,100 mM) |