4H6R
Structure of reduced Deinococcus radiodurans proline dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2012-08-11 |
Detector | NOIR-1 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.352, 95.688, 135.964 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.959 - 1.750 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g37 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.453 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.844 | 47.844 | 1.840 |
High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
Rmerge | 0.019 | 0.837 | |
Total number of observations | 13376 | 58357 | |
Number of reflections | 58089 | ||
<I/σ(I)> | 22.1 | 28.3 | 0.9 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.2 | 6.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 295 | 0.2 M magnesium chloride, 25% (w/v) PEG3350, and 0.1 mM Bis-tris, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |