8FDY
Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2020-12-11 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 74.659, 74.659, 100.793 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.756 - 2.060 |
R-factor | 0.2128 |
Rwork | 0.211 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j9f |
RMSD bond length | 0.005 |
RMSD bond angle | 0.863 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.756 | 2.120 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmeas | 0.209 | |
Rpim | 0.064 | |
Number of reflections | 20659 | 1578 |
<I/σ(I)> | 11 | |
Completeness [%] | 100.0 | |
Redundancy | 10.5 | |
CC(1/2) | 0.997 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M Tris-HCl pH 7.5, 0.33 M NaCl, 16-21% PEG 4000, and 2% PEG 400 |