4NXG
Crystal structure of iLOV-I486z(2LT) at pH 9.0
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 | 37.397, 60.711, 49.279 |
Unit cell angles | 90.00, 103.42, 90.00 |
Refinement procedure
Resolution | 36.375 - 2.090 |
R-factor | 0.1994 |
Rwork | 0.198 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ees |
RMSD bond length | 0.005 |
RMSD bond angle | 0.945 |
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 | 2.130 |
High resolution limit [Å] | 2.090 | 2.090 |
Number of reflections | 12632 | |
Completeness [%] | 98.7 | 98 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | protein sample (20-30mg/ml) in 20mM Tris, pH 8.0, 50mM NaCl, equal volume of reservoir solution (0.1M BIS-TRIS propane pH 9.0, 30% w/v Polyethylene glycol 6000), VAPOR DIFFUSION, SITTING DROP, temperature 289.0K |