4ECG
Crystal structure of a putative iron-regulated protein A precursor (BDI_2603) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97949 |
Spacegroup name | I 41 |
Unit cell lengths | 113.892, 113.892, 75.219 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.124 - 2.300 |
R-factor | 0.1632 |
Rwork | 0.162 |
R-free | 0.19270 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.697 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 29, 2011) |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.124 | 2.380 | |
High resolution limit [Å] | 2.300 | 4.930 | 2.300 |
Rmerge | 0.044 | 0.022 | 0.486 |
Number of reflections | 21402 | 4104 | 3936 |
<I/σ(I)> | 11.97 | 29.3 | 1.8 |
Completeness [%] | 98.1 | 96.1 | 96.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 40.00% polyethylene glycol 400, 0.200M calcium acetate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |