6JTJ
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-acetylglucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-01-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.184, 125.307, 190.614 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 104.710 - 2.180 |
R-factor | 0.21593 |
Rwork | 0.214 |
R-free | 0.24395 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jti |
RMSD bond length | 0.009 |
RMSD bond angle | 1.367 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.710 | 2.220 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.116 | 0.670 |
Number of reflections | 127747 | 6244 |
<I/σ(I)> | 14.7 | 2.9 |
Completeness [%] | 99.9 | 98.3 |
Redundancy | 6.7 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.2 M Sodium acetate trihydrate, 20% w/v polyethylene glycol 3,350 pH8.0 |