5VRB
Crystal structure of a transketolase from Neisseria gonorrhoeae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.450, 114.210, 125.690 |
Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
Resolution | 37.591 - 1.850 |
R-factor | 0.1509 |
Rwork | 0.150 |
R-free | 0.19070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r8o |
RMSD bond length | 0.006 |
RMSD bond angle | 0.769 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.591 | 37.591 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.071 | 0.031 | 0.455 |
Rmeas | 0.086 | 0.038 | 0.557 |
Number of reflections | 195499 | 2229 | 14301 |
<I/σ(I)> | 12.9 | 30.27 | 2.83 |
Completeness [%] | 98.7 | 96.9 | 98.1 |
Redundancy | 3.152 | 3.056 | 2.935 |
CC(1/2) | 0.996 | 0.997 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | NegoA.01294.a.B1.PS37968 at 22.9 mg/mL against MCSG1 screen condition E9 0.2 M calcium chloride, 25% PEG 3350, cryo-protected with 15% ethylene glycol, 1 mM TPP, 2 mM CaCl2, crystal tracking ID 282795e9, unique puck ID pap7-3 |