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 |