6XMV
The crystal structure of Neisseria gonorrhoeae DolP (NGO1985)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.040, 125.900, 47.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.785 - 2.750 |
R-factor | 0.2282 |
Rwork | 0.226 |
R-free | 0.28230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2huk |
RMSD bond length | 0.004 |
RMSD bond angle | 0.567 |
Data reduction software | XDS (VERSION May 1, 2016 BUILT=20160617) |
Data scaling software | XSCALE (VERSION May 1, 2016 BUILT=20160617) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.785 | 57.785 | 2.820 |
High resolution limit [Å] | 2.750 | 12.300 | 2.750 |
Rmerge | 0.175 | 0.044 | 1.203 |
Rmeas | 0.193 | 0.049 | 1.327 |
Number of reflections | 10641 | 139 | 799 |
<I/σ(I)> | 9.74 | 25.98 | 1.63 |
Completeness [%] | 98.6 | 90.8 | 98.8 |
Redundancy | 5.745 | 4.734 | 5.633 |
CC(1/2) | 0.993 | 0.997 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M Na acetate pH 4.5, 3M NaCl |