6VT6
Naegleria gruberi RNA ligase K170A mutant with ATP and Mn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 32 |
Unit cell lengths | 54.935, 54.935, 101.647 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.575 - 1.969 |
R-factor | 0.1653 |
Rwork | 0.161 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cot |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
High resolution limit [Å] | 1.960 | 5.320 | 1.960 |
Rmerge | 0.081 | 0.043 | 0.395 |
Rmeas | 0.092 | 0.049 | 0.469 |
Rpim | 0.045 | 0.023 | 0.249 |
Number of reflections | 47215 | 1216 | 1131 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.3 | 99.7 | 95.5 |
Redundancy | 4 | 4.2 | 3.3 |
CC(1/2) | 0.997 | 0.781 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | NgRnlK170A (9.8 mg/ml) was adjusted to 5 mM AMP and 2 mM MnCl2 and incubated for 15 min on ice before aliquots of the protein solution (1 ul) were mixed on a coverslip with an equal volume of precipitant solution containing 0.1 M HEPES pH 6.5, 30% PEG6000 |