2GZL
Structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with a CDP derived fluorescent inhibitor
Replaces: 2AO4Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9330 |
Spacegroup name | I 21 3 |
Unit cell lengths | 145.098, 145.098, 145.098 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.20855 |
Rwork | 0.207 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gx1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.256 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.500 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.685 | |
Number of reflections | 17715 | |
<I/σ(I)> | 2.9 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 290 | 0.1M AMMONIUM SULFATE, 8% PEG 200 MME, 0.1M SODIUM ACETATE, pH 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 290K |