5VEV
Crystal Structure of Phosphoribosylamine-glycine Ligase from Neisseria gonorrhoeae
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 | 2017-03-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.310, 99.450, 131.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.515 - 1.900 |
R-factor | 0.1667 |
Rwork | 0.166 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mjf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.826 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.515 | 46.515 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.055 | 0.029 | 0.516 |
Rmeas | 0.061 | 0.032 | 0.562 |
Number of reflections | 74874 | 885 | 5400 |
<I/σ(I)> | 19.23 | 44.57 | 3.68 |
Completeness [%] | 97.8 | 89.2 | 97.2 |
Redundancy | 6.283 | 5.568 | 6.382 |
CC(1/2) | 0.999 | 0.999 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 290 | 1:1 15 mg/mL NegoA.00865.a.B1.PW37919 / JCSG+(d4) (30% w/v PEG8000, 0.1 M sodium acetate/acetic acid, pH 4.5, 0.2 M lithium sulfate), cryoprotectant: 20% ethylene glycol |