4KGF
Crystal structure of near-infrared fluorescent protein with an extended stokes shift, ph 8.0
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-22 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 105.893, 105.893, 217.982 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.850 - 2.300 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kge |
RMSD bond length | 0.009 |
RMSD bond angle | 1.656 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.270 |
High resolution limit [Å] | 2.230 | 6.050 | 2.230 |
Rmerge | 0.074 | 0.034 | 0.921 |
Number of reflections | 35919 | ||
<I/σ(I)> | 11.3 | ||
Completeness [%] | 99.2 | 99 | 86.2 |
Redundancy | 15.5 | 13.8 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Na-acetate, pH 4.5, 3.0M NaCl. Then Solution slowly replaced with 0.1M Tris-HCl, pH 8.0, 3.0M NaCl 8-10 min, color change (darker), VAPOR DIFFUSION, HANGING DROP, temperature 298K |