5T8T
Crystal Structure of a S-adenosylmethionine Synthase from Neisseria gonorrhoeae with bound AMP and Magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 116.580, 116.580, 145.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.502 - 2.100 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.20550 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5t8s |
RMSD bond length | 0.007 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_2499: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 | |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.111 | 0.048 | 0.577 |
Number of reflections | 58908 | ||
<I/σ(I)> | 11.53 | 22.22 | 3.14 |
Completeness [%] | 99.6 | 93.8 | 100 |
Redundancy | 7.1 | 7.3 | |
CC(1/2) | 0.997 | 0.997 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | NegoA.00040.a.B1.PW37902 at 20.8 mg/ml, mixed 1:1 with an equal volume Morpheus(b9): 10% (w/v) PEG-20000, 20% (v/v) PEG MME 550, 0.1 M bicine/Trizma base, pH = 8.5, 0.03 M each NaF, NaBr, NaI |