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 |