6L76
Crystal structure of the Ni(II)(Chro)2-d(TTGGGCCGAA/TTCGGCCCAA) complex at 2.94 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-09 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.99984 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 64.718, 64.718, 246.578 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.511 - 2.940 |
R-factor | 0.2389 |
Rwork | 0.235 |
R-free | 0.27620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vaq |
RMSD bond length | 0.013 |
RMSD bond angle | 1.380 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.040 |
High resolution limit [Å] | 2.940 | 6.320 | 2.940 |
Rmerge | 0.067 | 0.033 | 0.509 |
Rmeas | 0.071 | 0.035 | 0.535 |
Rpim | 0.023 | 0.012 | 0.162 |
Number of reflections | 12146 | 776 | 669 |
<I/σ(I)> | 12.3 | ||
Completeness [%] | 98.6 | 91.9 | 100 |
Redundancy | 9.3 | 7.8 | 10.4 |
CC(1/2) | 0.999 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 1mM TTGGGCCGAA, 1 mM TTCGGCCCAA, 3 mM Chromomycin A3, 6 mM NiSO4, 2.5 mM Spermine,40 mM Sodium cacodylate (pH=7), 4 % PEG 400 |