3OQP
Crystal structure of a putative isochorismatase (Bxe_A0706) from BURKHOLDERIA XENOVORANS LB400 at 1.22 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-10 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97937,0.97898 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.369, 103.135, 45.062 |
| Unit cell angles | 90.00, 98.94, 90.00 |
Refinement procedure
| Resolution | 29.574 - 1.220 |
| R-factor | 0.1413 |
| Rwork | 0.140 |
| R-free | 0.16640 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.776 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.574 | 1.260 | |
| High resolution limit [Å] | 1.220 | 2.630 | 1.220 |
| Rmerge | 0.040 | 0.020 | 0.444 |
| Number of reflections | 99282 | 18601 | 16812 |
| <I/σ(I)> | 9.46 | 27.9 | 1.7 |
| Completeness [%] | 95.1 | 94 | 92.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 293 | 20.0% polyethylene glycol 3000, 0.15M sodium chloride, 0.1M HEPES pH 7.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
