3IK4
CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2009-07-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.026, 93.344, 85.914 |
| Unit cell angles | 90.00, 112.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.21855 |
| Rwork | 0.217 |
| R-free | 0.27531 |
| Structure solution method | MR |
| Starting model (for MR) | 1jpm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.253 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (1.2) |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.780 | |
| Number of reflections | 75228 | |
| <I/σ(I)> | 7.9 | 0.9 |
| Completeness [%] | 98.9 | 91.2 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 150MM POTASSIUM BROMIDE, PH 7.5, 30% PEG2000 MME, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
