5V9F
Structure of the H477R variant of rat cytosolic PEPCK in complex with beta sulfopyruvate and GTP.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-05-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.285, 119.506, 60.707 |
Unit cell angles | 90.00, 107.81, 90.00 |
Refinement procedure
Resolution | 59.750 - 2.050 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dt7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.292 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
Rmerge | 0.123 | 0.063 | 0.756 |
Rmeas | 0.133 | 0.068 | 0.835 |
Rpim | 0.051 | 0.026 | 0.348 |
Total number of observations | 255299 | ||
Number of reflections | 39151 | ||
<I/σ(I)> | 10.4 | ||
Completeness [%] | 99.4 | 99.7 | 95.4 |
Redundancy | 6.5 | 7 | 5 |
CC(1/2) | 0.997 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 24 - 34% PEG 3350 and 100mM HEPES, at pH 7.4 |