3RZI
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from mycobacterium tuberculosis cocrystallized and complexed with phenylalanine and tryptophan
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 207.560, 207.560, 66.977 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.880 - 1.950 |
R-factor | 0.1536 |
Rwork | 0.153 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b7o 3kgf |
RMSD bond length | 0.016 |
RMSD bond angle | 1.962 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.880 | 31.880 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.084 | 0.038 | 0.442 |
Total number of observations | 51436 | 34703 | |
Number of reflections | 119335 | ||
<I/σ(I)> | 8.7 | 25.2 | 2.3 |
Completeness [%] | 99.2 | 98.8 | 95.5 |
Redundancy | 3.96 | 4.13 | 2.98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20MM BTP, 150MM NACL, 0.5MM TCEP, 0.2MM PEP, 0.1MM MNCL2, 0.1M HEPES, 0.8M NAK PHOSPHATE, pH 8.0, 0.1MM Trp and Phe ligands, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |