4H1Z
Crystal structure of putative isomerase from Sinorhizobium meliloti, open loop conformation (target EFI-502104)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 102.723, 121.702, 137.691 |
Unit cell angles | 90.00, 99.79, 90.00 |
Refinement procedure
Resolution | 45.020 - 2.012 |
R-factor | 0.17356 |
Rwork | 0.172 |
R-free | 0.22851 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ppg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.155 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.012 | 2.012 |
Rmerge | 0.095 | 0.730 |
Number of reflections | 220797 | |
<I/σ(I)> | 9.2 | 1.3 |
Completeness [%] | 99.2 | 98.9 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 298 | 0.2 M magnesium formate, pH 5.9, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |