2YYK
Crystal structure of the mutant of HpaB (T198I, A276G, and R466H)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-03-08 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 0.9000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 91.819, 99.612, 131.091 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.530 - 1.600 |
Rwork | 0.195 |
R-free | 0.20350 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.530 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.054 | 0.245 |
Number of reflections | 78027 | |
<I/σ(I)> | 27.5 | |
Redundancy | 3.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.4M 1,6-hexanediol, 0.1M sodium acetate, 25%(v/v) glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.4M 1,6-hexanediol, 0.1M sodium acetate, 25%(v/v) glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.4M 1,6-hexanediol, 0.1M sodium acetate, 25%(v/v) glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |