3GA1

Crystal Structure of the Human Nac1 POZ Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	57.690, 57.690, 172.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.960 - 2.100
R-factor	0.208
Rwork	0.206
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2if5
RMSD bond length	0.011
RMSD bond angle	1.294
Data reduction software	MOSFLM
Data scaling software	SCALA (CCP4_3.3.9 2008/10/21)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.103	0.506
Total number of observations		17832
Number of reflections	17928
<I/σ(I)>	13.5	4
Completeness [%]	100.0	100
Redundancy	6.7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	6M ammonium nitrate, 0.1M bis-tris propane, pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K