4NL5
Mycobacterium tuberculosis heme-degrading protein MhuD in complex with heme and cyanide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.970, 60.400, 78.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.230 - 1.900 |
| R-factor | 0.1782 |
| Rwork | 0.173 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.098 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX (AutoMR) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.230 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 15989 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.9 M Ammonium Sulfate, 0.1 M Sodium Acetate, pH 6.0, 0.2 M Sodium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
