4FFJ
The crystal structure of spDHBPs from S.pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-12-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.008, 78.008, 87.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.200 - 1.950 |
R-factor | 0.18947 |
Rwork | 0.187 |
R-free | 0.24367 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MERLOT |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.630 |
High resolution limit [Å] | 1.950 | 5.880 | 2.400 |
Rmerge | 0.070 | 0.023 | 0.176 |
Number of reflections | 20622 | ||
<I/σ(I)> | 8.9 | ||
Completeness [%] | 89.5 | 89.8 | 92 |
Redundancy | 8.8 | 8.9 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.02 | 293 | 2M NH4)2SO4,pH7.02 BisTris 0.1M, VAPOR DIFFUSION, HANGING DROP, temperature 293K |