2YX5
Crystal Structure of Methanocaldococcus jannaschii PurS, One of the Subunits of Formylglycinamide Ribonucleotide Amidotransferase in the Purine Biosynthetic Pathway
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-31 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 96.251, 96.251, 48.257 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.540 - 2.300 |
| R-factor | 0.24 |
| Rwork | 0.240 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t4a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.051 | 0.355 |
| Number of reflections | 6252 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.7 | 21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 25% 1,2-propanediol, 10% glycerol, phosphate-citrate, 5% PEG 3000, pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
