4ZZ0
Human GAR transformylase in complex with GAR and (S)-2-(8-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid (AGF147)
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 | 75.240, 75.240, 100.409 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.769 - 1.650 |
| R-factor | 0.1611 |
| Rwork | 0.160 |
| R-free | 0.18520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4X78 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.153 |
| Data reduction software | HKL-2000 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.077 | 0.056 | 0.453 |
| Rmeas | 0.081 | 0.059 | 0.492 |
| Rpim | 0.025 | 0.018 | 0.186 |
| Total number of observations | 387613 | ||
| Number of reflections | 40099 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 99.8 | 98.5 | 97.7 |
| Redundancy | 9.7 | 10.2 | 6.2 |
| CC(1/2) | 0.998 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 18 % PEG4000, 2 % PEG400, 0.33 M NaCl |
