25BV

Crystal structure of P450cam mutant-F87R

Replaces:  9L7Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	58.010, 100.440, 72.880
Unit cell angles	90.00, 109.79, 90.00

Refinement procedure

Resolution	27.820 - 1.740
R-factor	0.1825
Rwork	0.181
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.447
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.180	1.790
High resolution limit [Å]	1.740	1.740
Rmerge	0.069	0.761
Rmeas	0.082	0.943
Rpim	0.045	0.549
Total number of observations	257938	15580
Number of reflections	79978	5914
<I/σ(I)>	9.7	1.5
Completeness [%]	99.4
Redundancy	3.2	2.6
CC(1/2)	0.997	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M ammonium acetate, 0.04 M citric acid,0.06 M bis-tris, pH6.4, 24% PEG3350