6E6Q
1.20 A resolution structure of the C-terminally truncated [2Fe-2S] ferredoxin (Bfd) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 23.946, 49.710, 39.895 |
Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
Resolution | 39.610 - 1.200 |
R-factor | 0.1227 |
Rwork | 0.121 |
R-free | 0.14830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e6k |
RMSD bond length | 0.012 |
RMSD bond angle | 1.634 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP (10.2.35) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.610 | 39.610 | 1.220 |
High resolution limit [Å] | 1.200 | 6.570 | 1.200 |
Rmerge | 0.065 | 0.043 | 0.633 |
Total number of observations | 96242 | ||
Number of reflections | 28905 | 194 | 1377 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 99.5 | 99.1 | 99.2 |
Redundancy | 3.3 | 3.5 | 3.2 |
CC(1/2) | 0.997 | 0.996 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 30% (v/v) 2-methyl-2,4-pentanediol, 100 mM sodium acetate, 20 mM CaCl2 |