3IJH
Structure of S67-27 in Complex with Ko
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-06-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.460, 127.880, 156.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.871 - 2.100 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q9w |
RMSD bond length | 0.004 |
RMSD bond angle | 0.893 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX (1.4_4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.960 | 19.960 | 2.170 |
High resolution limit [Å] | 2.100 | 4.510 | 2.100 |
Rmerge | 0.068 | 0.039 | 0.253 |
Total number of observations | 23019 | 22531 | |
Number of reflections | 54952 | ||
<I/σ(I)> | 10.4 | 24.1 | 4 |
Completeness [%] | 99.4 | 98.1 | 99.8 |
Redundancy | 4.12 | 3.95 | 4.14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG 4000, MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |