4NXE
Crystal structure of iLOV-I486(2LT) at pH 6.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2013-01-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.474, 65.430, 49.565 |
Unit cell angles | 90.00, 102.67, 90.00 |
Refinement procedure
Resolution | 29.347 - 2.103 |
R-factor | 0.2068 |
Rwork | 0.205 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ees |
RMSD bond length | 0.003 |
RMSD bond angle | 0.747 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MLPHARE |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 12433 | |
Completeness [%] | 91.2 | 97.5 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | Protein sample (20-30 mg/ml protein, 20 mM Tris, pH 8.0, 50 mM NaCl), equal volume of reservoir solution (0.2M Magnesium acetate tetrahydrate, 0.1M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethylene glycol 8000), VAPOR DIFFUSION, SITTING DROP, temperature 289.0K |