4RKZ
Crystal Structure of Mevalonate-3-Kinase from Thermoplasma acidophilum (Mevalonate 3-Phosphate/ADP Bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.370, 61.060, 103.550 |
Unit cell angles | 90.00, 122.95, 90.00 |
Refinement procedure
Resolution | 86.891 - 2.300 |
R-factor | 0.2063 |
Rwork | 0.202 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rkp |
RMSD bond length | 0.003 |
RMSD bond angle | 0.672 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1555) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.891 | 54.430 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.068 | 0.056 | 0.630 |
Number of reflections | 34215 | ||
<I/σ(I)> | 15.04 | 33.7 | 3.18 |
Completeness [%] | 99.2 | 98.4 | 99.4 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | ProComplex condition 68, (Quiagen Cat No. 135468A) 0.1 M Sodium Acetate pH 5.0, 1.0 M Ammonium Sulfate (2:1 Protein:Reservoir ratio), soaked in 5 mM mevalonate 3-phosphate and ADP generated enzymatically, vapor diffusion, hanging drop, temperature 298K |