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 |