3NV8
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase in complex with phosphoenol pyruvate and manganese (thesit-free)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2009-11-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 203.538, 203.538, 66.422 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.370 - 2.250 |
R-factor | 0.18137 |
Rwork | 0.180 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3KGF (stripped of ligands and waters) |
RMSD bond length | 0.008 |
RMSD bond angle | 2.157 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.400 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.118 | 0.434 |
Number of reflections | 73037 | |
<I/σ(I)> | 8.3 | 3.4 |
Completeness [%] | 97.2 | 95.4 |
Redundancy | 6.1 | 6.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 20MM BTP, 150MM NACL, 0.5MM TCEP, 0.2MM PEP, 0.1MM MNCL2, 0.1M HEPES, 0.8M NAK PHOSPHATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |