4R36
Crystal structure analysis of LpxA, a UDP-N-acetylglucosamine acyltransferase from Bacteroides fragilis 9343
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.12709 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 149.051, 149.051, 149.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.000 - 1.900 |
R-factor | 0.15705 |
Rwork | 0.155 |
R-free | 0.19241 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lxa |
RMSD bond length | 0.018 |
RMSD bond angle | 1.852 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.390 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.051 | 0.554 |
Number of reflections | 45045 | |
<I/σ(I)> | 35.3 | 4.9 |
Completeness [%] | 99.9 | 99 |
Redundancy | 10.6 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 28 % PEG600, 200 mM Calcium Acetate, 100 mM Sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |