4NJE
Crystal structure of Pyrococcus furiosus L-asparaginase with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-10-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 91.590, 91.590, 188.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.724 - 2.500 |
R-factor | 0.2305 |
Rwork | 0.228 |
R-free | 0.27010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4LX7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.234 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.724 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.133 | 0.711 |
Number of reflections | 16068 | |
<I/σ(I)> | 13.5 | 3.9 |
Completeness [%] | 94.8 | 99.7 |
Redundancy | 13.4 | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 200mM Sodium citrate tribasic dihydrate, 100mM Sodium cacodylate, 30%(v/v) 2-Propanol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |