4FGR
X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with ADP and Mg2+
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 | 2011-10-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.931, 65.111, 85.837 |
| Unit cell angles | 90.00, 91.96, 90.00 |
Refinement procedure
| Resolution | 85.750 - 2.597 |
| R-factor | 0.23498 |
| Rwork | 0.231 |
| R-free | 0.31866 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gqr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.637 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.787 | 2.664 |
| High resolution limit [Å] | 2.597 | 2.597 |
| Rmerge | 0.092 | |
| Number of reflections | 11902 | |
| <I/σ(I)> | 11.92 | |
| Completeness [%] | 84.8 | 58.66 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 36% PEG 200, 0.16 M Sodium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
