5CW6

Structure of metal dependent enzyme DrBRCC36

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97920
Spacegroup name	P 62 2 2
Unit cell lengths	108.833, 108.833, 137.439
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.126 - 3.193
R-factor	0.2154
Rwork	0.214
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.527
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.193	6.890	3.200
Rmerge	0.208	0.069
Rmeas	0.201	0.073
Rpim	0.074	0.023	0.464
Total number of observations	85423
Number of reflections	8474
<I/σ(I)>	3.2
Completeness [%]	99.9	99.8	99.9
Redundancy	10.1	9.4	9.3
CC(1/2)		0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.8 M succinic acid (pH 7.0)