6PEX
An aldo keto reductase with 2-keto- L-gulonate reductase activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-12-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.050, 85.720, 112.900 |
| Unit cell angles | 90.00, 89.91, 90.00 |
Refinement procedure
| Resolution | 27.700 - 1.581 |
| R-factor | 0.2498 |
| Rwork | 0.230 |
| R-free | 0.25130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3baz |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.150 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.103 | 0.352 |
| Rmeas | 0.121 | 0.427 |
| Rpim | 0.064 | 0.237 |
| Total number of observations | 661190 | |
| Number of reflections | 188965 | 9119 |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 99.5 | 97.5 |
| Redundancy | 3.5 | 3 |
| CC(1/2) | 0.991 | 0.919 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289.15 | 1.26 M ammonium sulfate, 100 mM sodium acetate/acetic acid (pH 4.5), 200 mM sodium chloride. |
