3LB9
Crystal structure of the B. circulans cpA123 circular permutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-20 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.810, 114.970, 65.030 |
Unit cell angles | 90.00, 113.47, 90.00 |
Refinement procedure
Resolution | 19.880 - 3.000 |
R-factor | 0.195 |
Rwork | 0.192 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hv1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.688 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.980 |
High resolution limit [Å] | 2.900 | 2.800 |
Rmerge | 0.147 | 0.412 |
Number of reflections | 10649 | |
<I/σ(I)> | 10.2 | 2.6 |
Completeness [%] | 92.0 | 99.8 |
Redundancy | 1147 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 298 | 13-20 % (NH4)2SO4 40 mM Tris-HCl, pH 8, VAPOR DIFFUSION, temperature 298K |