6BII
Crystal Structure of Pyrococcus yayanosii Glyoxylate Hydroxypyruvate Reductase in complex with NADP and malonate (re-refinement of 5AOW)
Replaces: 5AOWExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979637 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 141.063, 141.063, 260.792 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.580 - 2.000 |
R-factor | 0.1498 |
Rwork | 0.148 |
R-free | 0.17560 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5AOW |
RMSD bond length | 0.011 |
RMSD bond angle | 1.521 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.970 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 1.500 | |
Rpim | 0.062 | 0.683 |
Number of reflections | 103194 | 14914 |
<I/σ(I)> | 11.7 | 1.4 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 7.3 | 7.3 |
CC(1/2) | 1.000 | 0.527 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.7 MALONATE (HAMPTON), PH 7.0. 1 ml of mother liquor was placed in the well of the crystallization plate and the drop was formed by mixing 1.5 ul of protein solution at 10 mg/ml and 1.5 ul of mother liquor |