3NXB

Crystal Structure of the Bromodomain of human CECR2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-06-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	C 1 2 1
Unit cell lengths	127.160, 45.510, 45.590
Unit cell angles	90.00, 105.67, 90.00

Refinement procedure

Resolution	29.250 - 1.830
R-factor	0.1784
Rwork	0.176
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of PDB entries 2OSS 2ouo 2grc 2oo1 3dai 3d7c 3dwy
RMSD bond length	0.016
RMSD bond angle	1.423
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.250	22.919	1.920
High resolution limit [Å]	1.830	5.770	1.830
Rmerge	0.058	0.033	0.541
Total number of observations		2515	10773
Number of reflections	22346
<I/σ(I)>	11.7	16.2	1.4
Completeness [%]	99.3	98.4	98.4
Redundancy	3.5	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M MES, 12% PEG 20,000, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 6.5