4WPU
Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2012-05-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.636, 122.715, 63.861 |
Unit cell angles | 90.00, 116.61, 90.00 |
Refinement procedure
Resolution | 37.480 - 2.260 |
R-factor | 0.166 |
Rwork | 0.162 |
R-free | 0.22600 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.125 |
Data reduction software | HKL-2000 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.121 | 0.508 |
Number of reflections | 33630 | |
<I/σ(I)> | 9.3 | |
Completeness [%] | 99.4 | 89.9 |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10-16% (w/v) PEG 3350, 0.2 M KH2PO4 |