6OZD
Crystal structure of Putative exported protein (BPSS2145) from Burkholderia pseudomallei K96243
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-11 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.950, 96.360, 95.930 |
| Unit cell angles | 90.00, 91.36, 90.00 |
Refinement procedure
| Resolution | 47.952 - 1.550 |
| R-factor | 0.1469 |
| Rwork | 0.147 |
| R-free | 0.16860 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.934 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3500) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.952 | 47.952 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.049 | 0.020 | 0.483 |
| Rmeas | 0.058 | 0.024 | 0.567 |
| Total number of observations | 653760 | ||
| Number of reflections | 173134 | 1996 | 12697 |
| <I/σ(I)> | 16.56 | 47.17 | 2.53 |
| Completeness [%] | 99.8 | 98.8 | 99.5 |
| Redundancy | 3.776 | 3.653 | 3.667 |
| CC(1/2) | 0.999 | 0.999 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Rigaku Reagents JCSG+ screen, condition A9: 20% PEG 3350, 200mM ammonium sulfate: BupsE.19908.a.B2.PW38478 at 15.79mg/ml: tray: 301773 a9: cryo: 25% EG: puck wwy6-7. For experimental phasing, a crystal from the same drop was incubated for 15sec each in a solution of 90% reservoir and 10% 2.5M sodium iodide in EG, and a solution of 80% reservoir and 20% 2.5M sodium iodide in EG (final sodium iodide concentration 500mM), and vitrified in the final solution. Tray 301773 a9: puck IQV8-12. |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Rigaku Reagents JCSG+ screen, condition A9: 20% PEG 3350, 200mM ammonium sulfate: BupsE.19908.a.B2.PW38478 at 15.79mg/ml: tray: 301773 a9: cryo: 25% EG: puck wwy6-7. For experimental phasing, a crystal from the same drop was incubated for 15sec each in a solution of 90% reservoir and 10% 2.5M sodium iodide in EG, and a solution of 80% reservoir and 20% 2.5M sodium iodide in EG (final sodium iodide concentration 500mM), and vitrified in the final solution. Tray 301773 a9: puck IQV8-12. |
