4ZYW
Human GAR transformylase in complex with GAR and N-({5-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF94)
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 | 2014-04-06 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0001 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 75.256, 75.256, 100.621 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.825 - 2.050 |
R-factor | 0.1654 |
Rwork | 0.162 |
R-free | 0.20240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4X72 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.137 |
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 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.103 | 0.068 | 0.544 |
Rmeas | 0.108 | 0.071 | 0.584 |
Rpim | 0.033 | 0.022 | 0.206 |
Total number of observations | 220599 | ||
Number of reflections | 21298 | ||
<I/σ(I)> | 10.2 | ||
Completeness [%] | 99.7 | 98.8 | 97.3 |
Redundancy | 10.4 | 10.1 | 6.7 |
CC(1/2) | 0.997 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 18 % PEG4000, 2 % PEG400, 0.33 M NaCl |