6B8V
Crystal structure of adenylyl-sulfate kinase from Cryptococcus neoformans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 87.680, 87.680, 173.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.840 - 2.550 |
R-factor | 0.1881 |
Rwork | 0.184 |
R-free | 0.23960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pey |
RMSD bond length | 0.007 |
RMSD bond angle | 0.832 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX ((dev_2499: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.840 | 43.840 | 2.620 |
High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
Rmerge | 0.094 | 0.041 | 0.560 |
Rmeas | 0.099 | 0.044 | 0.595 |
Total number of observations | 222005 | ||
Number of reflections | 25257 | 310 | 1862 |
<I/σ(I)> | 14.76 | 33.75 | 3.94 |
Completeness [%] | 99.8 | 94.2 | 100 |
Redundancy | 8.79 | 7.348 | 8.844 |
CC(1/2) | 0.999 | 0.999 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 18.6 mg/mL PS38292 against Morpheus A11: 10% w/v PEG4000, 20% v/v glycerol, 0.03 M magnesium chloride, 0.03 M calcium chloride, 0.1 M bicine/Trizma base, pH 8.5, cryoprotection: direct, CrneC.00830.a.B1, tray 293001, puck ltv3-1 |