1J3N
Crystal Structure of 3-oxoacyl-(acyl-carrier protein) Synthase II from Thermus thermophilus HB8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-04-12 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.067, 185.573, 62.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| Rwork | 0.210 |
| R-free | 0.25800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e5m |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.095 | 0.235 |
| Number of reflections | 56133 * | 4619 * |
| <I/σ(I)> | 4.2 | |
| Completeness [%] | 97.7 | 81.1 |
| Redundancy | 4.8 * | 4.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 295 | PEG 4000, MAGNESIUM CHLORIDE, SODIUM CITRATE, pH 5.3, MICROBATCH, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18.0 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | reservoir | PEG4000 | 25 (%(w/v)) | |
| 5 | 1 | reservoir | 0.05 (M) | ||
| 6 | 1 | reservoir | sodium citrate | 0.100 (mM) | pH5.3 |
