4FE2
X-Ray Structure of SAICAR Synthetase (PurC) from Streptococcus pneumoniae complexed with AIR, ADP, Asp and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Detector technology | CCD |
| Collection date | 2011-11-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.074, 65.021, 86.052 |
| Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
| Resolution | 85.990 - 2.288 |
| R-factor | 0.20078 |
| Rwork | 0.196 |
| R-free | 0.28431 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gqr |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.023 |
| 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] | 85.995 | 2.300 |
| High resolution limit [Å] | 2.288 | 2.288 |
| Rmerge | 0.081 | 0.190 |
| Number of reflections | 21601 | |
| <I/σ(I)> | 25.9 | 7.9 |
| Completeness [%] | 99.5 | 99.4 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 40% PEG 200, 0.16 Sodium Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
