4L82
Structure of a putative oxidoreductase from Rickettsia felis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.580, 79.730, 155.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.790 - 2.000 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rz1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.418 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.941 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.095 | 0.030 | 0.513 |
Number of reflections | 44103 | 530 | 3182 |
<I/σ(I)> | 15.07 | 44.61 | 3.77 |
Completeness [%] | 98.0 | 87.7 | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 17 mg/mL RifeA.00250.a, 0.2 M potassium thiocyanate, 20% PEG3350, cryoprotectant: 15% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |