7Z28
High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 57.651, 113.174, 140.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.050 - 1.550 |
R-factor | 0.1658 |
Rwork | 0.165 |
R-free | 0.18220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q4r |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.050 | 1.570 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.089 | 0.654 |
Number of reflections | 132999 | 4161 |
<I/σ(I)> | 17.2 | |
Completeness [%] | 99.6 | |
Redundancy | 12 | |
CC(1/2) | 0.750 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M SPG 7.0 25 % w/v PEG 1500 |