4FXM
Crystal structure of the complex of a human telomeric repeat G-quadruplex and N-methyl mesoporphyrin IX (P21212)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0750 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 50.755, 41.980, 42.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.380 - 1.651 |
R-factor | 0.22389 |
Rwork | 0.222 |
R-free | 0.26160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t5e |
RMSD bond length | 0.020 |
RMSD bond angle | 3.668 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.380 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.462 | |
Number of reflections | 11364 | |
<I/σ(I)> | 2.8 | 2.8 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.3 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 15% PEG 400, 0.4M ammonium sulfate, 0.05M lithium cacodylate, 0.05M potassium chloride, 0.01M calcium chloride, , pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |