3HX9
Structure of heme-degrader, MhuD (Rv3592), from Mycobacterium tuberculosis with two hemes bound in its active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 70 |
Detector technology | CCD |
Collection date | 2008-12-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97, 1.76 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 43.971, 64.622, 71.082 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 19.350 - 1.750 |
R-factor | 0.18856 |
Rwork | 0.186 |
R-free | 0.23119 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.022 |
RMSD bond angle | 2.010 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.066 | 0.165 |
Number of reflections | 19968 | |
<I/σ(I)> | 28.1 | 10.7 |
Completeness [%] | 98.9 | 98.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M Bis-Tris pH 5.0, 0.2 M NaCl, 20% PEG-3350, 10 mM triethylamine HCl , VAPOR DIFFUSION, HANGING DROP, temperature 298K |