6QBD
Crystal structure of NLPPya P41A, D44N, N48E mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.391, 87.391, 115.967 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.284 - 1.950 |
R-factor | 0.1718 |
Rwork | 0.170 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gnz |
RMSD bond length | 0.007 |
RMSD bond angle | 0.759 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | XSCALE (VERSION Jan 26, 2018) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.284 | 42.284 | 2.060 |
High resolution limit [Å] | 1.940 | 5.800 | 1.940 |
Rmerge | 0.225 | 0.144 | 0.715 |
Rmeas | 0.234 | 0.151 | 0.746 |
Number of reflections | 33415 | 1408 | 5300 |
<I/σ(I)> | 9.38 | 18.21 | 3.52 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 13.024 | 12.746 | 12.198 |
CC(1/2) | 0.991 | 0.993 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.3 M MgCl2, 0.1 M Tris/HCl pH 9, 10 % (v/v) glycerol, 5 % (v/v) methanol, 22 % (w/v) PEG 4000 |