3S6M
The structure of a Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-23 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 80.657, 80.657, 43.338 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.280 - 1.651 |
| R-factor | 0.1485 |
| Rwork | 0.147 |
| R-free | 0.18270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nul |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.375 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.112 | 0.074 | 0.174 |
| Number of reflections | 19225 | ||
| <I/σ(I)> | 23.8 | ||
| Completeness [%] | 98.6 | 98.7 | 94.3 |
| Redundancy | 4 | 6.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 50% PEG 400, 0.1M NaAcetate pH 4.5, 200mM Lithium sulfate. Direct cryoprotection, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
