4Z3K
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-04 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00000 |
Spacegroup name | P 61 |
Unit cell lengths | 143.964, 143.964, 180.740 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 124.676 - 2.350 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hwk |
RMSD bond length | 0.020 |
RMSD bond angle | 1.446 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 124.676 | 46.200 | 2.480 |
High resolution limit [Å] | 2.350 | 7.430 | 2.350 |
Rmerge | 0.023 | 1.085 | |
Rmeas | 0.111 | ||
Rpim | 0.031 | 0.006 | 0.307 |
Total number of observations | 1136272 | 39628 | 170620 |
Number of reflections | 88165 | ||
<I/σ(I)> | 20 | 79.4 | 2.8 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 12.9 | 13.9 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2% W/V PEG1000, 1.9 M Ammonium sulfate, 0.1 M Hepes pH7.5 |