4PUX
Crystal structure of a beta-barrel like protein (ABAYE2633) from Acinetobacter baumannii AYE at 1.43 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 | PIXEL |
| Collection date | 2013-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91837,0.9798,0.97913 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 61.338, 99.178, 48.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.978 - 1.430 |
| R-factor | 0.1199 |
| Rwork | 0.118 |
| R-free | 0.15280 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.581 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.978 | 1.480 | |
| High resolution limit [Å] | 1.430 | 3.080 | 1.430 |
| Rmerge | 0.036 | 0.019 | 0.342 |
| Number of reflections | 27406 | 4982 | 4915 |
| <I/σ(I)> | 12.43 | 32.5 | 2.2 |
| Completeness [%] | 95.1 | 93.6 | 95.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 1.0M lithium chloride, 20.0% polyethylene glycol 6000, 0.1M citric acid pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
