5NCJ
GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-10 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00003 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.740, 56.061, 73.802 |
Unit cell angles | 90.00, 112.46, 90.00 |
Refinement procedure
Resolution | 51.910 - 1.529 |
R-factor | 0.1563 |
Rwork | 0.155 |
R-free | 0.17340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nch |
RMSD bond length | 0.007 |
RMSD bond angle | 0.923 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2689) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.727 | 1.555 |
High resolution limit [Å] | 1.529 | 1.529 |
Rmerge | 0.093 | 0.867 |
Rpim | 0.038 | 0.362 |
Number of reflections | 80188 | 4262 |
<I/σ(I)> | 11 | 2.1 |
Completeness [%] | 94.2 | 99.5 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.995 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MORPHEUS (Molecular Dimensions) condition F1: 0.12 M Monosaccharides, 0.1 M Buffer System 1 pH 6.5, 50 % v/v Precipitant Mix 1 co-crystallization with: 10 mM L-leucine, 10 mM alpha-ketoglutarate, 10 mM DTT, 125.5 mM Tris/HCl and 1 mM 1 mM MnCl2 and 2 mM Na-ascorbate. |