3VED
Rhodococcus jostii RHA1 DypB D153H variant in complex with heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-15 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97952 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 132.642, 132.642, 159.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.500 |
| R-factor | 0.1855 |
| Rwork | 0.184 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qnr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.370 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.50109) |
| Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.069 | 0.028 | 0.627 |
| Number of reflections | 56398 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 99.6 | 97.6 | 99.5 |
| Redundancy | 5.3 | 5.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M sodium acetate trihydrate, 3 M sodium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
