6VTB
Naegleria gruberi RNA ligase K326A 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 | 2015-10-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.031, 64.221, 101.888 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.600 - 1.547 |
R-factor | 0.1644 |
Rwork | 0.163 |
R-free | 0.19470 |
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 | 1.580 |
High resolution limit [Å] | 1.547 | 4.210 | 1.547 |
Rmerge | 0.106 | 0.039 | 0.914 |
Rmeas | 0.112 | 0.042 | 0.975 |
Rpim | 0.035 | 0.013 | 0.332 |
Number of reflections | 94052 | 2778 | 2370 |
<I/σ(I)> | 10.5 | ||
Completeness [%] | 96.9 | 99.2 | 93.8 |
Redundancy | 9.6 | 10.3 | 8.1 |
CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | NgrRnlK326A (21.4 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, 30% PEG6000 |