5VK4
Crystal structure of a phosphoribosylformylglycinamidine cyclo-ligase from Neisseria gonorrhoeae bound to AMPPNP and magnesium
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 | 2017-03-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.250, 79.610, 150.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.831 - 2.650 |
R-factor | 0.1876 |
Rwork | 0.185 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cli |
RMSD bond length | 0.005 |
RMSD bond angle | 0.758 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_2744) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.831 | 44.831 | 2.720 |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.082 | 0.026 | 0.629 |
Rmeas | 0.092 | 0.029 | 0.704 |
Number of reflections | 19414 | 249 | 1421 |
<I/σ(I)> | 15.35 | 36.08 | 2.67 |
Completeness [%] | 99.2 | 93.6 | 99.9 |
Redundancy | 5.003 | 4 | 5.11 |
CC(1/2) | 0.997 | 0.998 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | NegoA.00263.a.B1.PW37900 at 18.3 mg/mL with 3 mM MgCl2 and 3 mM AMPPNP against MCSG1 screen condition B4 which contains 0.2 M MgCl2, 0.1 M BisTris pH 6.5, and 25% PEG 3350, supplemented with 15% EG as cryo protectant,crystal tracking ID 273610b4 |