6VTD
Naegleria gruberi RNA ligase R149A 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 | CCD |
Collection date | 2015-11-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 88.775, 88.775, 100.926 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.050 - 2.400 |
R-factor | 0.2521 |
Rwork | 0.246 |
R-free | 0.30630 |
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 (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.490 | 2.400 |
Rmerge | 0.069 | 0.032 | 0.800 |
Rmeas | 0.074 | 0.035 | 0.867 |
Rpim | 0.028 | 0.013 | 0.324 |
Number of reflections | 29868 | 885 | 782 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 99.1 | 94.7 | 100 |
Redundancy | 7.1 | 6.5 | 6.8 |
CC(1/2) | 0.999 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | NgrRnlR149A (8.2 mg/ml) was adjusted to 2 mM ATP and 5 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, 27% PEG6000 |