6JTL
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-06-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.805, 90.992, 103.325 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.2053 |
Rwork | 0.203 |
R-free | 0.24919 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jti |
RMSD bond length | 0.009 |
RMSD bond angle | 1.339 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.121 | 0.560 |
Number of reflections | 25780 | 1244 |
<I/σ(I)> | 23.4 | 2.5 |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 6.1 | 5.6 |
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 |