4RCG
Crystal Structure Analysis of MTB PEPCK without Mn+2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2014-03-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.412, 124.277, 121.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.400 - 2.600 |
R-factor | 0.2104 |
Rwork | 0.207 |
R-free | 0.27130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r43 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.890 |
Data scaling software | XSCALE |
Phasing software | MOLREP (11.0.02) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 2.760 | ||
High resolution limit [Å] | 2.600 | 7.730 | 2.600 |
Rmerge | 0.135 | 0.058 | 0.548 |
Number of reflections | 24338 | 1009 | 3739 |
<I/σ(I)> | 10.56 | 23.77 | 3.07 |
Completeness [%] | 99.0 | 97.9 | 95.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M sodium acetate, 30%PEG 300, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |