3HCJ
Structure of MsrB from Xanthomonas campestris (oxidized form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.81 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.197, 65.303, 57.957 |
| Unit cell angles | 90.00, 94.81, 90.00 |
Refinement procedure
| Resolution | 43.270 - 1.660 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24800 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.377 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 38713 | |
| <I/σ(I)> | 24.1 | 2.1 |
| Completeness [%] | 99.6 | 97.4 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 8.5 | 293 | 32 % PEG 4000, 0.8M LiCl, 0.1M TRIS-HCl pH 8.5, TRIS HCl pH 8, microbatch under oil, temperature 293K |
