5U10
E. coli dihydropteroate synthase complexed with pteroic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95370 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 96.541, 83.868, 83.933 |
Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
Resolution | 47.030 - 2.040 |
R-factor | 0.21159 |
Rwork | 0.210 |
R-free | 0.25063 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aj2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.327 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.030 | 2.090 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.058 | 0.691 |
Number of reflections | 39630 | |
<I/σ(I)> | 25.4 | 3.2 |
Completeness [%] | 98.9 | 86.4 |
Redundancy | 7.4 | 6.8 |
CC(1/2) | 0.999 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 281 | 0.134M magnesium sulfate 19.7 %w/v/ PEG8000 0.1M sodium cacodylate, pH 6.03 Protein concentration 11.1 mg.mL-1 1:1 (150:150 nL) reservoir:protein Cocrystallisation |