4CRJ
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor
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 | 2013-08-22 |
| Detector | ADSC CCD |
| Spacegroup name | P 61 |
| Unit cell lengths | 82.480, 82.480, 52.173 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.170 - 2.000 |
| R-factor | 0.16447 |
| Rwork | 0.163 |
| R-free | 0.19961 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ad6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.362 |
| 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] | 42.100 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.220 | 1.020 |
| Number of reflections | 13792 | |
| <I/σ(I)> | 12.2 | 3.6 |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 21.5 | 19.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 281 | PROTEIN 7.5 MG/ML PLUS 1MM AMPCPP PLUS 1MM INHIBITOR, AMMONIUM SULFATE 0.275 M, PEG4000 22.1% W/V, SITTING DROP, 281 K |
