7NL8
Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 57.530, 57.530, 159.520 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.560 - 1.590 |
R-factor | 0.1925 |
Rwork | 0.191 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6scb |
RMSD bond length | 0.005 |
RMSD bond angle | 0.719 |
Data reduction software | XDS (1.02) |
Data scaling software | XDS (1.02) |
Phasing software | PHASER (7.0.047) |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.590 | 1.590 |
Number of reflections | 42121 | 6695 |
<I/σ(I)> | 24.1 | |
Completeness [%] | 99.6 | |
Redundancy | 7.6 | |
CC(1/2) | 1.000 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 25% PEG 4000, 0.05 M TRIS (pH 7.0), 0.3 M magnesium chloride |