8QM1
wild type Pa.FabF in complex cerulenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.065, 65.159, 84.816 |
Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
Resolution | 47.850 - 1.910 |
R-factor | 0.21893 |
Rwork | 0.218 |
R-free | 0.24825 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.426 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.910 | 2.030 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 56802 | 56802 |
<I/σ(I)> | 3.08 | |
Completeness [%] | 90.2 | |
Redundancy | 1.72 | |
CC(1/2) | 0.840 | 0.200 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 35% PEG3350, 0.24M NH4HCO2 |