4X4J
Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.672, 80.379, 105.079 |
| Unit cell angles | 90.00, 126.19, 90.00 |
Refinement procedure
| Resolution | 42.657 - 2.650 |
| R-factor | 0.1968 |
| Rwork | 0.193 |
| R-free | 0.24650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qa1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.728 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.084 | 0.469 |
| Number of reflections | 29488 | |
| <I/σ(I)> | 21.6 | 3.9 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 7.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277.15 | 0.2 M ammonium sulfate, 30% PEG 3350, 0.1 M MES |
