5U4N
Crystal structure of a fructose-bisphosphate aldolase from Neisseria gonorrhoeae
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 | 2016-11-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.950, 91.750, 85.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.766 - 1.600 |
R-factor | 0.147 |
Rwork | 0.146 |
R-free | 0.17540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gay |
RMSD bond length | 0.006 |
RMSD bond angle | 0.788 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.766 | 30.766 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.064 | 0.027 | 0.503 |
Number of reflections | 43174 | ||
<I/σ(I)> | 21.36 | 52.45 | 3.06 |
Completeness [%] | 99.9 | 98.7 | 99.5 |
Redundancy | 7.788 | 6.824 | 5.33 |
CC(1/2) | 0.999 | 0.999 | 0.881 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | NegoA.01416.a.PS37962 at 21.2 mg/mL against MCSG 1 screen condition G11 0.1 M phosphate citrate pH 4.2, 40% PEG 300, crystal tracking ID 282713a1, unique puck ID nce6-10 |