4AC8
R2-like ligand binding Mn-Fe oxidase from M. tuberculosis with an organized C-terminal helix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-14 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 109.990, 210.850, 139.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.720 - 2.750 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ee4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.121 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.720 | 2.830 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.140 | 0.610 |
Number of reflections | 39247 | |
<I/σ(I)> | 9.75 | 2.83 |
Completeness [%] | 92.1 | 94.4 |
Redundancy | 5.6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |