5Y5M

SFX structure of cytochrome P450nor: a complete dark data without pump laser (resting state)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	298
Detector technology	CCD
Collection date	2016-12-06
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 1 21 1
Unit cell lengths	54.600, 102.300, 73.700
Unit cell angles	90.00, 92.60, 90.00

Refinement procedure

Resolution	19.919 - 2.100
R-factor	0.1699
Rwork	0.168
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cl6
RMSD bond length	0.007
RMSD bond angle	0.914
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.120
High resolution limit [Å]	2.100	2.100
Number of reflections	47209
<I/σ(I)>	7.4	1.5
Completeness [%]	100.0	100
Redundancy	307.5	213.3
CC(1/2)	0.991	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.5	293	34-38% PEG 10000, 0.1 M BIS-TRIS PROPANE 0.15 M Ammonium acetate