2XE6
The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG
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 | 2009-06-26 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.570, 73.010, 93.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.740 |
R-factor | 0.20807 |
Rwork | 0.206 |
R-free | 0.25250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c39 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.856 |
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 | 1.830 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.100 | 0.290 |
Number of reflections | 43561 | |
<I/σ(I)> | 8.1 | 3.2 |
Completeness [%] | 98.9 | 100 |
Redundancy | 4.1 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 30% PEG4000, 100MM TRIS PH 8.0 |