3HCI
Structure of MsrB from Xanthomonas campestris (complex-like form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-14 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.24 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.436, 74.203, 122.941 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.250 - 2.590 |
R-factor | 0.19837 |
Rwork | 0.196 |
R-free | 0.24737 |
Starting model (for MR) | 3hcg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.137 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.590 | 2.600 |
Number of reflections | 11522 | |
<I/σ(I)> | 10.9 | 2.4 |
Completeness [%] | 97.7 | 92 |
Redundancy | 7.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 7.5 | 293 | 18 % PEG 8000, 0.1M Na HEPES pH 7.5, 0.2M, 0.05M TRIS HCl pH 8 , microbatch under oil, temperature 293K |