3E1L
Crystal structure of E. coli Bacterioferritin (BFR) soaked in phosphate with an alternative conformation of the unoccupied Ferroxidase centre (APO-BFR II).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-01 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 208.082, 208.082, 143.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.000 - 2.500 |
R-factor | 0.236 |
Rwork | 0.236 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2QP7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.368 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.200 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 104275 | |
<I/σ(I)> | 19.6 | 5.2 |
Completeness [%] | 96.4 | 80.7 |
Redundancy | 13.9 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 1.8 M AMMOMIUM SULFATE, 0.1 M TRI- SODIUM CITRATE PH 5.0. SUBSEQUENTLY, THE CRYSTALS WERE SOAKED IN A CRYO-PROTECTANT BUFFER CONTAINING PHOSPHATE BUFFERED WITH MOPS PH 7 INSTEAD OF CITRATE. SEE PAPER FOR FULL DETAILS., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K, pH 5.00 |