3T8Q
Crystal structure of mandelate racemase/muconate lactonizing enzyme family protein from Hoeflea phototrophica
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 | 2011-07-28 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 75.557, 189.461, 57.995 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.460 - 2.000 |
| R-factor | 0.153 |
| Rwork | 0.151 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n4e |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.085 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.069 | 0.200 |
| Number of reflections | 56296 | |
| <I/σ(I)> | 14.6 | 5 |
| Completeness [%] | 98.6 | 96.7 |
| Redundancy | 9.4 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 291 | 60% v/v Tacsimate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
