7DRJ
Crystal structure of phosphatidylglycerol phosphate synthase in complex with phosphatidylglycerol phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 127.540, 59.376, 72.985 |
Unit cell angles | 90.00, 106.18, 90.00 |
Refinement procedure
Resolution | 31.460 - 2.500 |
R-factor | 0.2143 |
Rwork | 0.212 |
R-free | 0.24900 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.002 |
RMSD bond angle | 0.467 |
Data reduction software | XDS (Jan 31, 2020 Built=20200417) |
Data scaling software | Aimless (CCP4-7.0.078) |
Phasing software | Arcimboldo (CCP4-7.0.078) |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.650 | 33.650 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.169 | 0.053 | 1.509 |
Rpim | 0.074 | 0.023 | 0.691 |
Number of reflections | 18069 | 1866 | 1743 |
<I/σ(I)> | 8.4 | 23.5 | 1.1 |
Completeness [%] | 98.6 | 98.2 | 96.5 |
Redundancy | 5.9 | 5.6 | 5.5 |
CC(1/2) | 0.997 | 0.999 | 0.485 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7.34 | 277 | 5-35% (v/v) 1,4-butanediol, 0.3M zinc acetate, 0.1M imidazole/HCl (pH 6.2-7.8) |