7Y0T
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97914 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.483, 144.354, 63.236 |
Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
Resolution | 38.900 - 1.890 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.19790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7egn |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.180 | 72.180 | 1.990 |
High resolution limit [Å] | 1.890 | 5.960 | 1.890 |
Rmerge | 0.059 | 0.044 | 0.364 |
Rmeas | 0.072 | 0.055 | 0.441 |
Rpim | 0.041 | 0.032 | 0.247 |
Total number of observations | 232165 | 6829 | 34980 |
Number of reflections | 78701 | 2533 | 11410 |
<I/σ(I)> | 11.4 | 20.7 | 3.1 |
Completeness [%] | 96.8 | 96.2 | 96.2 |
Redundancy | 2.9 | 2.7 | 3.1 |
CC(1/2) | 0.995 | 0.986 | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350 |