4CYU
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.002, 94.263, 62.989 |
| Unit cell angles | 90.00, 112.44, 90.00 |
Refinement procedure
| Resolution | 45.530 - 2.700 |
| R-factor | 0.19433 |
| Rwork | 0.192 |
| R-free | 0.24223 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ad6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.493 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.530 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.900 |
| Number of reflections | 18506 | |
| <I/σ(I)> | 9.4 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 281 | PROTEIN 6.9 MG/ML 1 MM AMPCPP, 2 MM MAGNESIUM CHLORIDE, MAGNESIUM ACETATE 0.119 M, PEG8000 12.6% W/V, TRIS CHLORIDE 0.12 M, SITTING DROP, 281 K |
