7RWY

Crystal structure of a Fe-bound RIDC1 variant in the presence of reductant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	52.550, 82.680, 74.140
Unit cell angles	90.00, 95.22, 90.00

Refinement procedure

Resolution	44.650 - 2.200
R-factor	0.2052
Rwork	0.202
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.009
RMSD bond angle	1.159
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.270	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.072
Rmeas	0.110	0.434
Rpim	0.054	0.216
Number of reflections	30358	4390
<I/σ(I)>	8
Completeness [%]	99.1
Redundancy	3.9
CC(1/2)	0.992	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	40% PPG, 0.1 M Bis-Tris