6CW0

Crystal structure of Cryptosporidium parvum bromodomain cgd2_2690

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97887
Spacegroup name	P 21 21 21
Unit cell lengths	32.543, 71.422, 98.274
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.380
R-factor	0.177
Rwork	0.176
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z93
RMSD bond length	0.009
RMSD bond angle	1.323
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.400
High resolution limit [Å]	1.380	3.750	1.380
Rmerge	0.085	0.059	0.969
Rmeas	0.091	0.063	1.042
Rpim	0.031	0.022	0.379
Total number of observations	403015
Number of reflections	49181	2691	2428
<I/σ(I)>	6.7
Completeness [%]	100.0	99.9	100
Redundancy	8.2	7.8	7.4
CC(1/2)		0.997	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.5M NH4SO4 and 0.1M BTP 7.0