5NLP
Auxiliary activity 9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 125.008, 125.008, 125.008 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.200 - 1.590 |
R-factor | 0.16098 |
Rwork | 0.160 |
R-free | 0.17550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ach |
RMSD bond length | 0.017 |
RMSD bond angle | 1.741 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.200 | 1.700 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmeas | 0.097 | 1.840 |
Number of reflections | 45264 | 8102 |
<I/σ(I)> | 17.53 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.51 | 10.82 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 298 | 4.1 M NaCl 0.1 M citric acid, pH 4.0 (soaked pH 5.5) |