7Y9M
Crystal structure of P450 BM3-2F from Bacillus megaterium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.767, 146.357, 62.891 |
Unit cell angles | 90.00, 97.28, 90.00 |
Refinement procedure
Resolution | 24.840 - 2.160 |
R-factor | 0.1743 |
Rwork | 0.173 |
R-free | 0.21480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kpa |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.240 |
High resolution limit [Å] | 2.160 | 4.640 | 2.160 |
Rmerge | 0.071 | 0.040 | 0.394 |
Rmeas | 0.081 | 0.045 | 0.457 |
Rpim | 0.039 | 0.022 | 0.228 |
Total number of observations | 238806 | ||
Number of reflections | 56401 | 5729 | 5580 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 99.9 | 99.9 | 99.4 |
Redundancy | 4.2 | 4.2 | 3.9 |
CC(1/2) | 0.998 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 298 | 25-30% PEG 3350, 0.1M MgCl2, 0.1M HEPES, pH 7.5 |