4ZYU
Human GAR transformylase in complex with GAR and N-{4-[4-(2-Amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-butyl]benzoyl}-L-glutamic acid (AGF50)
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 | 2014-08-24 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0001 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 75.202, 75.202, 100.971 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.901 - 1.950 |
R-factor | 0.1812 |
Rwork | 0.179 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4X74 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.078 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (phenix.refine 1.9) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.075 | 0.058 | 0.374 |
Rmeas | 0.079 | 0.061 | 0.405 |
Rpim | 0.024 | 0.019 | 0.149 |
Total number of observations | 257914 | ||
Number of reflections | 24596 | ||
<I/σ(I)> | 21 | ||
Completeness [%] | 99.5 | 93.1 | 97.3 |
Redundancy | 10.5 | 9.7 | 7 |
CC(1/2) | 0.997 | 0.934 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 18 % PEG4000, 2 % PEG400, 0.33 M NaCl |