6CAU
UDP-N-acetylmuramate--alanine ligase from Acinetobacter baumannii AB5075-UW with AMPPNP
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 | 2017-11-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.180, 82.180, 154.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.482 - 2.500 |
R-factor | 0.1697 |
Rwork | 0.167 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.882 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 19078 | |
<I/σ(I)> | 31.89 | |
Completeness [%] | 100.0 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.4 uL 20 mg/mL AcbaC.00137.b.B5 PD00479 + 0.4 uL MCSG1 A10 (200 mM magnesium chloride, 100 mM MES/NaOH, pH 6.5, 10% PEG4000, 3 mM AMPPNP, 3 mM UDP, 3 mM magnesium chloride) in XJR trays, cryoprotectant: 25% ethylene glycol |