1LY4
Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-02-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418,1.5621,1.7321 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.047, 43.128, 60.730 |
| Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.100 |
| Rwork | 0.193 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cd2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.063 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PROTEIN |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 2.100 |
| High resolution limit [Å] | 2.100 | 2.000 |
| Rmerge | 0.066 * | |
| Number of reflections | 8544 | |
| Completeness [%] | 94.2 | 69.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | 277 * | MES/KCl, PEG 2000, pH 6.0, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MES | 50 (mM) | pH6.0 |
| 2 | 1 | 1 | 100 (mM) | ||
| 3 | 1 | 1 | protein | 12.8 (mg/ml) | |
| 4 | 1 | 2 | PEG2000 | 50 (%(w/v)) | |
| 5 | 1 | 2 | MES | 50 (mM) | pH6.0 |
| 6 | 1 | 2 | 100 (mM) |
