6VT8
Naegleria gruberi RNA ligase E312A mutant with AMP 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 32 |
Unit cell lengths | 54.941, 54.941, 100.602 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.410 - 1.998 |
R-factor | 0.1912 |
Rwork | 0.187 |
R-free | 0.23330 |
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] | 30.000 | 30.000 | 2.030 |
High resolution limit [Å] | 1.998 | 5.420 | 1.998 |
Rmerge | 0.075 | 0.029 | 0.580 |
Rmeas | 0.088 | 0.034 | 0.688 |
Rpim | 0.046 | 0.017 | 0.366 |
Number of reflections | 42536 | 1138 | 1195 |
<I/σ(I)> | 17.7 | ||
Completeness [%] | 99.6 | 98 | 100 |
Redundancy | 3.5 | 3.8 | 3.4 |
CC(1/2) | 0.999 | 0.648 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | NgrRnlE312A (9.1 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, 25% PEG6000 |