3IX9
Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-07-15 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.838, 93.639, 71.367 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.237 |
| Rwork | 0.237 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zdr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.520 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.102 | 0.210 |
| Number of reflections | 28610 | |
| <I/σ(I)> | 5.6 | 2.4 |
| Completeness [%] | 92.6 | 92.6 |
| Redundancy | 2.34 | 1.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 298 | 1M Lithium chloride, 0.1M Sodium citrate pH 4.0, 20% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
