4ZIY
Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-17 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.090, 86.090, 131.010 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.682 - 1.850 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20210 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.966 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2006: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.053 | 0.033 | 0.531 |
Rmeas | 0.058 | 0.036 | 0.571 |
Total number of observations | 359513 | ||
Number of reflections | 48617 | 614 | 3546 |
<I/σ(I)> | 21.45 | 44.54 | 3.5 |
Completeness [%] | 99.9 | 96.8 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | MCSG1 screen G4: 20% PEG 3350, 200mM Na-tartrate; AcbaC.00137.c.B1.PS02364 at 22.7mg/ml with 3mM MgCl2 and AMPPNP; Cryo: 20% EG + compounds; tray: 262682g4; puck rrn3-1; iodide data set was prepared by soaking a crystal from the same well in reservoir with 10%EG and 250mM NaI, and 20% EG and 500mM NaI |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | MCSG1 screen G4: 20% PEG 3350, 200mM Na-tartrate; AcbaC.00137.c.B1.PS02364 at 22.7mg/ml with 3mM MgCl2 and AMPPNP; Cryo: 20% EG + compounds; tray: 262682g4; puck rrn3-1; iodide data set was prepared by soaking a crystal from the same well in reservoir with 10%EG and 250mM NaI, and 20% EG and 500mM NaI |