6BAC
Crystal Structure of Aspartate-Semialdehyde Dehydrogenase from Neisseria gonorrhoeae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-01-25 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 109.000, 109.000, 72.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.539 - 2.100 |
R-factor | 0.1832 |
Rwork | 0.180 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3uw3 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.539 | 39.539 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.072 | 0.033 | 0.500 |
Rmeas | 0.077 | 0.036 | 0.546 |
Total number of observations | 205075 | ||
Number of reflections | 29204 | 373 | 2150 |
<I/σ(I)> | 13.44 | 34.3 | 2.98 |
Completeness [%] | 99.5 | 97.9 | 99.9 |
Redundancy | 7.022 | 6.282 | 6.041 |
CC(1/2) | 0.998 | 0.997 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Microlytic MCSG1 screen, F11: 25% PEG 3350, 200mM Ammonium Sulfate, HEPES free acid/NaOH pH 7.5: NegoA.17885.a.B1.PW37925 at 21.5mg/ml: cryo: 15% EG: tray 282816F11, puck obs5-1 |