4WOU
Crystal Structure of Mtb PEPCK in complex with GDP and metals
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2011-04-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.91993 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 103.316, 125.172, 122.147 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.578 - 2.122 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.105 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.122 |
Rmerge | 0.110 |
Number of reflections | 44852 |
<I/σ(I)> | 27.75 |
Completeness [%] | 99.8 |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10% (w/v) PEG 3350, 0.2 M KH2PO4 |