2XE8
The complete reaction cycle of human phosphoglycerate kinase: The open ternary complex with 3PG and AMP-PNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-22 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.320, 71.170, 91.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.790 |
R-factor | 0.20038 |
Rwork | 0.198 |
R-free | 0.24252 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c39 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.959 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.880 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.070 | 0.290 |
Number of reflections | 36815 | |
<I/σ(I)> | 10.1 | 3.6 |
Completeness [%] | 98.6 | 97.1 |
Redundancy | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 30% PEG4000, 100MM TRIS PH 8.0 |