7YVV
AcmP1, R-4-hydroxymandelate synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 77.15 |
Detector technology | PIXEL |
Collection date | 2017-12-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 31 |
Unit cell lengths | 71.130, 71.130, 56.281 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.600 - 2.100 |
R-factor | 0.1566 |
Rwork | 0.148 |
R-free | 0.19730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r5v |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.600 | 61.600 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.171 | 0.065 | 0.938 |
Rmeas | 0.192 | 0.073 | 1.055 |
Rpim | 0.087 | 0.032 | 0.477 |
Total number of observations | 85544 | 1079 | 7260 |
Number of reflections | 18285 | 239 | 1542 |
<I/σ(I)> | 6.9 | 16.5 | 1.8 |
Completeness [%] | 98.3 | 97.4 | 97.8 |
Redundancy | 4.7 | 4.5 | 4.7 |
CC(1/2) | 0.985 | 0.981 | 0.392 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.1 M HEPES sodium pH 7.5, 10% v/v 2-Propanol, 20% w/v Polyethylene glycol 4,000 |