3VEG
Rhodococcus jostii RHA1 DypB R244L 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 | 133.224, 133.224, 158.922 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 53.000 - 2.350 |
R-factor | 0.1876 |
Rwork | 0.186 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qnr |
RMSD bond length | 0.013 |
RMSD bond angle | 1.330 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.5.0109) |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 115.375 | 50.000 | 2.430 |
High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
Rmerge | 0.096 | 0.043 | 0.516 |
Number of reflections | 67790 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.9 | 99.6 | 100 |
Redundancy | 6 | 5.9 | 6 |
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 |