6JBN
Crystal structure of Sphingomonas sp. A1 peroxidase EfeB responsible for import of iron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-01-27 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.020, 104.990, 83.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.489 - 2.300 |
R-factor | 0.2371 |
Rwork | 0.234 |
R-free | 0.29750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o72 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.971 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.358 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.058 | 0.159 |
Number of reflections | 39361 | 3588 |
<I/σ(I)> | 14.1 | |
Completeness [%] | 98.6 | |
Redundancy | 4.2 | |
CC(1/2) | 0.202 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 15% PEG 400, 100 mM Sodium acetate (pH 4.6), 100 mM Calcium chloride |