4QHQ
The structure of a nutrient binding protein from Burkholderia cenocepacia bound to methionine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.630, 67.170, 55.480 |
Unit cell angles | 90.00, 101.60, 90.00 |
Refinement procedure
Resolution | 28.570 - 1.400 |
R-factor | 0.1683 |
Rwork | 0.167 |
R-free | 0.19480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tqw |
RMSD bond length | 0.005 |
RMSD bond angle | 1.093 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.570 | 1.440 | |
High resolution limit [Å] | 1.400 | 6.260 | 1.400 |
Rmerge | 0.042 | 0.021 | 0.275 |
Number of reflections | 43114 | 395 | 3064 |
<I/σ(I)> | 19.66 | 34.81 | 5.13 |
Completeness [%] | 96.3 | 75.5 | 92.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20mg/ml BuceA.18560.a.B1.PS01924, 100mM succinic acid, 15% PEG3350, 20% Ethylene glycol as a cryoprotectant, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |