4P7X
L-pipecolic acid-bound L-proline cis-4-hydroxylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2013-05-22 |
Detector | RAYONIX MX325HE |
Wavelength(s) | 0.900 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 112.680, 123.395, 56.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 1.300 |
R-factor | 0.1368 |
Rwork | 0.135 |
R-free | 0.16190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.415 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | MOLREP (11.1.03) |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.870 | 19.873 | 1.370 |
High resolution limit [Å] | 1.300 | 4.110 | 1.300 |
Rmerge | 0.055 | 0.035 | 0.481 |
Rmeas | 0.059 | ||
Rpim | 0.020 | 0.014 | 0.211 |
Total number of observations | 655504 | 25475 | 84038 |
Number of reflections | 97557 | ||
<I/σ(I)> | 6.7 | 45.4 | 3.5 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 6.7 | 7.8 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 288 | CAPS, Ammonium sulfate, Lithium sulfate |