5Y5L

Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the absence of NADH (resting state)

Experimental procedure

実験手法	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
格子定数 [Å]	54.600, 102.300, 73.700
格子定数 [度]	90.00, 92.60, 90.00

精密化法

残基	19.919 - 2.100
R因子	0.1481
Rwork	0.146
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cl6
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	0.964
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.120
分解能 [Å] (高)	2.100	2.100
独立反射数	47209
<I/σ(I)>	11.4	1.4
完全性 [%]	100.0	100
冗長性	923.9	639.2
CC(1/2)	0.997	0.518

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	BATCH MODE	8.5	293	34-38% PEG 10000, 0.1 M BIS-TRIS PROPANE 0.15 M Ammonium acetate