3HWR
Crystal structure of PanE/ApbA family ketopantoate reductase (YP_299159.1) from Ralstonia eutropha JMP134 at 2.15 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-28 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837 |
Spacegroup name | P 61 |
Unit cell lengths | 116.210, 116.210, 95.604 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.761 - 2.150 |
R-factor | 0.186 |
Rwork | 0.183 |
R-free | 0.22600 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.781 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.761 | 29.760 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.111 | 0.059 | 0.719 |
Total number of observations | 1452 | 10975 | |
Number of reflections | 39885 | ||
<I/σ(I)> | 4.124 | 10 | 1 |
Completeness [%] | 99.9 | 91.3 | 100 |
Redundancy | 3.7 | 3.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.71 | 277 | 26.2000% polyethylene glycol 6000, 0.1M Bicine pH 8.71, Additive: 0.001 M dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH), VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 8.71 | 277 | 26.2000% polyethylene glycol 6000, 0.1M Bicine pH 8.71, Additive: 0.001 M dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH), VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |