5B8F
X-ray Crystal Structure of a 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-25 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.560, 100.210, 54.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.981 - 1.450 |
R-factor | 0.1395 |
Rwork | 0.138 |
R-free | 0.16920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gx1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.253 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.049 | 0.023 | 0.500 |
Rmeas | 0.053 | 0.025 | 0.538 |
Total number of observations | 579986 | ||
Number of reflections | 79313 | 1001 | 5792 |
<I/σ(I)> | 23.44 | 57.63 | 3.63 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 7.31 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | Morpheus C12: 12.5% PEG-1000, 12.5% PEG-3350, 12.5% MPD, 0.1M Bicine/Trizma base, pH=8.5, 0.03M each sodium nitrate, disodium hydrogen phosphate, ammonium sulfate |