3IIK
The structure of hCINAP-SO4 complex at 1.95 angstroms resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.04498 |
Spacegroup name | P 61 |
Unit cell lengths | 98.670, 98.670, 57.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.890 - 1.950 |
R-factor | 0.18107 |
Rwork | 0.180 |
R-free | 0.20559 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rkb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.113 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.400 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 23444 | |
<I/σ(I)> | 25.8 | 4.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 1.5 M Li2SO4, 0.2 M NaCl, 0.5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |