4HGD
Structural insights into yeast Nit2: C169S mutant of yeast Nit2 in complex with an endogenous peptide-like ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97930 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.632, 126.915, 77.624 |
Unit cell angles | 90.00, 95.61, 90.00 |
Refinement procedure
Resolution | 35.510 - 2.040 |
R-factor | 0.1914 |
Rwork | 0.189 |
R-free | 0.22832 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h5u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.074 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 76148 | |
Completeness [%] | 95.1 | 93.2 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 287 | 17.5% PEG4000, 0.1M sodium cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |