6VT5
Naegleria gruberi RNA ligase R4a K121A mutant apo
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 32 |
Unit cell lengths | 55.713, 55.713, 100.338 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.490 - 1.800 |
R-factor | 0.1965 |
Rwork | 0.194 |
R-free | 0.22910 |
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 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.103 | 0.075 | 0.515 |
Rmeas | 0.122 | 0.090 | 0.591 |
Rpim | 0.064 | 0.048 | 0.287 |
Number of reflections | 58945 | 1587 | 1620 |
<I/σ(I)> | 9.4 | ||
Completeness [%] | 98.4 | 96.5 | 99.8 |
Redundancy | 3.9 | 3.5 | 4 |
CC(1/2) | 0.973 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | The NgrRnlR4A-K121A protein sample (10.2 mg/ml) was mixed with equal volume (1 ul) of 0.1 M HEPES pH 6.5, 30% PEG6000 |