5EU0
FIC domain of Bep1 from Bartonella rochalimae in complex with BiaA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.130, 73.130, 130.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.600 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3shg |
RMSD bond length | 0.010 |
RMSD bond angle | 0.880 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.100 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.140 | 0.027 |
Rmeas | 0.146 | 0.028 |
Total number of observations | 547927 | |
Number of reflections | 47293 | 633 |
<I/σ(I)> | 16.29 | 1.31 |
Completeness [%] | 99.9 | 98.5 |
Redundancy | 11.6 | 9.1 |
CC(1/2) | 0.999 | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 0.2M HEPES pH7.5, 2.3M AMMONIUM SULFATE, 2% v/v PEG 400 |