3T9P
Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme family protein from Roseovarius
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 | 2011-07-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.08 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 109.594, 91.362, 100.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.990 - 1.970 |
R-factor | 0.1826 |
Rwork | 0.181 |
R-free | 0.21907 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t8q |
RMSD bond length | 0.031 |
RMSD bond angle | 2.179 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.040 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.059 | 0.233 |
Number of reflections | 71641 | |
<I/σ(I)> | 12.5 | 5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.9 | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M NaCL, 0.1M HEPES pH 7.5, 1.6M Ammonium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |