3NIJ

The structure of UBR box (HIAA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-25
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 61 2 2
Unit cell lengths	58.323, 58.323, 111.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.000 - 2.100
R-factor	0.2631
Rwork	0.262
R-free	0.29410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nis
RMSD bond length	0.007
RMSD bond angle	0.935
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.082	0.057	0.522
Number of reflections	7022
<I/σ(I)>	13.7
Completeness [%]	99.6	97.4	100
Redundancy	21	18	20.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.16M ammonium acetate, 0.01M calcium chloride dihydrate, 0.05M sodium cacodylate trihydrate pH 6.5, 8%(w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K