6PAC
E. coli L-asparaginase II in complex with L-Asp at pH 5.6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-24 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.178, 62.395, 140.665 |
Unit cell angles | 90.00, 117.55, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.600 |
R-factor | 0.1318 |
Rwork | 0.131 |
R-free | 0.17190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.939 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.019 | 0.009 | 0.269 |
Rmeas | 0.024 | 0.011 | 0.365 |
Rpim | 0.013 | 0.006 | 0.243 |
Total number of observations | 337531 | ||
Number of reflections | 135099 | 7853 | 4189 |
<I/σ(I)> | 21 | ||
Completeness [%] | 88.0 | 99 | 54.9 |
Redundancy | 2.5 | 3.3 | 1.4 |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Crystals were grown in 0.17 M NH4-citrate, pH 5.6, 17-18% PEG3350, then soaked for 1 min in solution with 5 mM L-Asp |