4ZYV
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)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF71)
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 | 75.203, 75.203, 100.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.816 - 2.053 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.19230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mej |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.071 |
| Data reduction software | DENZO |
| 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 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.096 | 0.059 | 0.536 |
| Rmeas | 0.101 | 0.062 | 0.574 |
| Rpim | 0.031 | 0.019 | 0.199 |
| Total number of observations | 222995 | ||
| Number of reflections | 21095 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 99.8 | 98.1 | 98.7 |
| Redundancy | 10.6 | 10 | 7.7 |
| CC(1/2) | 0.998 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 18 % PEG4000, 2 % PEG400, 0.33 M NaCl |
