4WL8
Crystal Structure of Mtb PEPCK in complex with non-hydrolyzable analog of GTP
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 | 2012-04-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0076 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.616, 123.009, 64.035 |
Unit cell angles | 90.00, 116.97, 90.00 |
Refinement procedure
Resolution | 38.204 - 1.610 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.18040 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4wie |
RMSD bond length | 0.006 |
RMSD bond angle | 1.098 |
Data reduction software | HKL-3000 |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
Rmerge | 0.128 | 0.066 | 0.770 |
Total number of observations | 368099 | ||
Number of reflections | 92621 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 98.5 | 98.9 | 84.6 |
Redundancy | 4 | 4.1 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10% (w/v) PEG 3350, 0.2 M KH2PO4 |